1H-Indol-3-yl(2,2,3,3-tetramethylcyclopropyl)methanone supplier

Name
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
EINECS
CAS No. 895152-66-6
Article Data5
CAS DataBase
Density 1.099 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₉NO
Boiling Point 375.009 °C at 760 mmHg
Molecular Weight 241.333
Flash Point 188.03 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-indol-3-yl-(2,2,3,3-tetramethylcyclopropyl)methanone;
PSA 32.86000
LogP 4.03280

Synthetic route

: 120-72-9
indole

: 24303-61-5
2,2,3,3-tetramethylcyclopropanecarbonyl chloride

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
Stage #1: indole With zirconium(IV) chloride In dichloromethane at 0℃; for 0.0833333h; Inert atmosphere; Stage #2: 2,2,3,3-tetramethylcyclopropanecarbonyl chloride In dichloromethane at 0℃; for 4h; Inert atmosphere;	85%

: 24303-61-5
2,2,3,3-tetramethylcyclopropanecarbonyl chloride

A: 895157-31-0
1-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole

B: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
Stage #1: indole With ethylmagnesium bromide In tetrahydrofuran; dichloromethane at 20℃; for 0.25h; Stage #2: With zinc(II) chloride In tetrahydrofuran; dichloromethane at 20℃; for 0.5h; Stage #3: 2,2,3,3-tetramethylcyclopropanecarbonyl chloride In tetrahydrofuran; dichloromethane at 20℃; for 6h;	A 27% B 42%

: 120-72-9
indole

: 24303-61-5
2,2,3,3-tetramethylcyclopropanecarbonyl chloride

A: 895157-31-0
1-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole

B: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
With ethylmagnesium bromide; zinc(II) chloride
Stage #1: indole With ethylmagnesium bromide In tetrahydrofuran; dichloromethane at 20℃; for 0.25h; Stage #2: With zinc(II) chloride In tetrahydrofuran; diethyl ether; dichloromethane for 0.5h; Stage #3: 2,2,3,3-tetramethylcyclopropanecarbonyl chloride In tetrahydrofuran; diethyl ether; dichloromethane at 20℃; for 6h; Further stages.;	A 6.1 g B 9.7 g
Stage #1: indole With ethylmagnesium bromide In tetrahydrofuran; dichloromethane at 21℃; Stage #2: With zinc(II) chloride In tetrahydrofuran; diethyl ether; dichloromethane for 0.5h; Stage #3: 2,2,3,3-tetramethylcyclopropanecarbonyl chloride In tetrahydrofuran; diethyl ether; dichloromethane at 21℃; for 6h;	A 6.1 g B 9.7 g

...Expand

: 15641-58-4
2,2,3,3-tetramethylcyclopropane-1-carboxylic acid

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: thionyl chloride / 2 h / Reflux 2.1: ethylmagnesium bromide / tetrahydrofuran; dichloromethane / 21 °C 2.2: 0.5 h 2.3: 6 h / 21 °C View Scheme

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: 106-94-5
propyl bromide

: 1199943-42-4
(1-propyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: propyl bromide In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	97%

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: 100-39-0
benzyl bromide

: (1-benzyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: benzyl bromide In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	92%

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: 110-53-2
1-Bromopentane

: 1199943-44-6
((1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone)

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 1-Bromopentane In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	91%

: 109-65-9
1-bromo-butane

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: 1199943-43-5
(1-butyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 1-bromo-butane In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	89%

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: 60277-03-4
N,N-diallyl-2-bromoacetamide

: 1H-indol-3-yl-(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 1.5h; Schlenk technique;	85%

: 21746-87-2
5-bromo-1,2-epoxypentane

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: (1-(3-(oxiran-2-yl)propyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With potassium tert-butylate In tetrahydrofuran; N,N-dimethyl-formamide at 0℃; for 0.25h; Stage #2: 5-bromo-1,2-epoxypentane In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 16h;	75%

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: 3395-91-3
Methyl 3-bromopropionate

: 1199943-46-8
methyl 3-(3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1H-indol-1-yl)propanoate

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: Methyl 3-bromopropionate In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	55%

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: 10226-30-9
6-chloro-2-hexanone

: 6-(3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1H-indol-1-yl)-hexan-2-one

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 6-chloro-2-hexanone In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	15%

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: 5875-24-1
3-chloropropionamide

: 3-(3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1H-indol-1-yl)propanamide

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 3-chloropropionamide In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	13%

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: 46230-78-8
2-(morpholin-1-yl)ethyl methanesulfonate

: [1-(2-morpholin-4-ylethyl)-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
With sodium hydride
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; Stage #2: 2-(morpholin-1-yl)ethyl methanesulfonate In N,N-dimethyl-formamide at 45℃; Further stages.;	6.6 g
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 2-(morpholin-1-yl)ethyl methanesulfonate In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	6.6 g

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: 132291-95-3
4-(methanesulfonyloxymethyl)tetrahydropyran

: [1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)-methanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; Stage #2: 4-(methanesulfonyloxymethyl)tetrahydropyran In N,N-dimethyl-formamide at 45℃; for 2h; Further stages.;	0.19 g
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 4-(methanesulfonyloxymethyl)tetrahydropyran In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	0.19 g

: 184849-49-8
(tetrahydrofuran-3-yl)methyl methanesulfonate

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: (1-((tetrahydrofuran-3-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: (tetrahydrofuran-3-yl)methyl methanesulfonate In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	0.16 mg

: 428871-01-6
2-(tetrahydro-2H-pyran-4-yl)ethyl methanesulfonate

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: (1-(2-(tetrahydro-2H-pyran-4-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 2-(tetrahydro-2H-pyran-4-yl)ethyl methanesulfonate In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	0.36 mg

: 1009068-66-9
2-(pyridin-4-yl)ethyl methanesulfonate

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: (1-(2-(pyridin-4-yl)ethyl)-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)-methanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 2-(pyridin-4-yl)ethyl methanesulfonate In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	42 mg

: 40500-05-8
2-(tetrahydro-2H-pyran-4-yl)acetyl chloride

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: 2-(tetrahydro-2H-pyran-4-yl)-1-(3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1H-indol-1-yl)ethanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 2-(tetrahydro-2H-pyran-4-yl)acetyl chloride In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	0.16 g

: 111669-18-2
tert-butyl 4-(2-((methylsulfonyl)oxy)ethyl)piperazine-1-carboxylate

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: tert-butyl 4-(2-(3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1H-indol-1-yl)ethyl)piperazine-1-carboxylate

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: tert-butyl 4-(2-((methylsulfonyl)oxy)ethyl)piperazine-1-carboxylate In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	0.22 g

: 1018895-28-7
methanesulfonic acid 3-morpholin-4-yl-propyl ester

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: (1-(3-morpholin-4-ylpropyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: methanesulfonic acid 3-morpholin-4-yl-propyl ester In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	0.15 g

: methanesulfonic acid 2-pyrrolidin-1-ylethyl ester

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: (1-(2-(pyrrolidin-1-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: methanesulfonic acid 2-pyrrolidin-1-ylethyl ester In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	45 mg

: 1107645-36-2
2-(azepan-1-yl)ethyl methanesulfonate

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: (1-(2-(azepan-1-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 2-(azepan-1-yl)ethyl methanesulfonate In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	0.19 g

: 603150-58-9
2-(1-methylpyrrolidin-2-yl)ethyl methanesulfonate

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: (1-(2-(1-methylpyrrolidin-2-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 2-(1-methylpyrrolidin-2-yl)ethyl methanesulfonate In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	85 mg

: 137211-71-3
(S)-(tetrahydrofuran-2-yl)methyl methanesulfonate

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: (S)-(1-((tetrahydrofuran-2-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: (S)-(tetrahydrofuran-2-yl)methyl methanesulfonate In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	0.23 mg

: 137211-70-2
(R)-(tetrahydrofuran-2-yl)methyl methanesulfonate

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: (R)-(1-((tetrahydrofuran-2-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: (R)-(tetrahydrofuran-2-yl)methyl methanesulfonate In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	0.28 mg

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: 1160183-65-2
(1,3-dioxolan-2-yl)methyl methanesulfonate

: 1199943-41-3
(1-((1,3-dioxolan-2-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: (1,3-dioxolan-2-yl)methyl methanesulfonate In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	0.27 g

: 854922-99-9
2-(2-oxooxazolidin-3-yl)ethyl methanesulfonate

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: 3-(2-(3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1H-indol-1-yl)ethyl)oxazolidin-2-one

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 2-(2-oxooxazolidin-3-yl)ethyl methanesulfonate In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	0.2 g

: 854923-05-0
2-(2-oxopyrrolidin-1-yl)ethyl methanesulfonate

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: 1-(2-(3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1H-indol-1-yl)ethyl)pyrrolidin-2-one

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 2-(2-oxopyrrolidin-1-yl)ethyl methanesulfonate In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	0.12 g

: 773092-59-4
2-(2,5-dioxopyrrolidin-1-yl)ethyl methanesulfonate

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: 1-(2-(3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1H-indol-1-yl)ethyl)pyrrolidin-2,5-dione

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 2-(2,5-dioxopyrrolidin-1-yl)ethyl methanesulfonate In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	60 mg

: 164523-19-7
4,4,4-trifluorobutyl methanesulfonate

: 895152-66-6
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

: (2,2,3,3-tetramethylcyclopropyl)-(1-(4,4,4-trifluorobutyl)-1H-indol-3-yl)methanone

Conditions

Conditions	Yield
Stage #1: (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 4,4,4-trifluorobutyl methanesulfonate In N,N-dimethyl-formamide; mineral oil at 0 - 45℃;	0.19 g

1H-Indol-3-yl(2,2,3,3-tetramethylcyclopropyl)methanone Specification

The 1H-Indol-3-yl(2,2,3,3-tetramethylcyclopropyl)methanone, with the CAS registry number 895152-66-6, is also known as 1H-indol-3-yl-(2,2,3,3-tetramethylcyclopropyl)methanone. This chemical's molecular formula is C₁₆H₁₉NO and molecular weight is 241.33. What's more, its systematic name is 1H-Indol-3-yl(2,2,3,3-tetramethylcyclopropyl)methanone.

Physical properties of 1H-Indol-3-yl(2,2,3,3-tetramethylcyclopropyl)methanone are: (1)ACD/LogP: 4.283; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.28; (4)ACD/LogD (pH 7.4): 4.28; (5)ACD/BCF (pH 5.5): 1059.54; (6)ACD/BCF (pH 7.4): 1059.54; (7)ACD/KOC (pH 5.5): 5093.07; (8)ACD/KOC (pH 7.4): 5093.07; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.86 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 74.399 cm³; (15)Molar Volume: 219.521 cm³; (16)Polarizability: 29.494×10^-24cm³; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.099 g/cm³; (19)Flash Point: 188.03 °C; (20)Enthalpy of Vaporization: 62.247 kJ/mol; (21)Boiling Point: 375.009 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C(C1(C)C)C(=O)c2c[nH]c3c2cccc3)C
(2)Std. InChI: InChI=1S/C16H19NO/c1-15(2)14(16(15,3)4)13(18)11-9-17-12-8-6-5-7-10(11)12/h5-9,14,17H,1-4H3
(3)Std. InChIKey: WYZQBEQQQKCTHM-UHFFFAOYSA-N

Product Name

(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Synthetic route

1H-Indol-3-yl(2,2,3,3-tetramethylcyclopropyl)methanone Specification

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