-
Name
7H-CYCLOPENTA[B]PYRIDIN-7-ONE, 5,6-DIHYDRO-
- EINECS
- CAS No. 31170-78-2
- Article Data9
- CAS DataBase
- Density 1.23 g/cm3
- Solubility
- Melting Point 118-120 °C
- Formula C8H7NO
- Boiling Point 267.379 °C at 760 mmHg
- Molecular Weight 133.15
- Flash Point 122.62 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 7H-1-Pyrindin-7-one,5,6-dihydro- (8CI);5,6-Dihydro-7H-cyclopenta[b]pyridin-7-one;5,6-Dihydrocyclopenta[b]pyridin-7-one;
- PSA 29.96000
- LogP 1.21050
5,6-Dihydro-7H-cyclopenta[b]pyridin-7-one Specification
The 5,6-Dihydro-7H-cyclopenta[b]pyridin-7-one, with the CAS registry number 31170-78-2, is also known as 5,6-Dihydrocyclopenta[b]pyridin-7-one. It belongs to the product category of Pyridine Derivertives. This chemical's molecular formula is C8H7NO and molecular weight is 133.15. What's more, its systematic name is called 5,6-Dihydro-7H-cyclopenta[b]pyridin-7-one.
Physical properties about 5,6-Dihydro-7H-cyclopenta[b]pyridin-7-one are: (1) ACD/LogP: 0.68; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1; (4) ACD/LogD (pH 7.4): 1; (5) ACD/BCF (pH 5.5): 6; (6) ACD/BCF (pH 7.4): 6;(7) ACD/KOC (pH 5.5): 122; (8) ACD/KOC (pH 7.4): 122; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 29.96 Å2; (13) Index of Refraction: 1.592; (14) Molar Refractivity: 36.649 cm3; (15) Molar Volume: 108.246 cm3; (16) Surface Tension: 53.857 dyne/cm; (17) Density: 1.23 g/cm3; (18) Flash Point: 122.62 °C; (19) Enthalpy of Vaporization: 50.54 kJ/mol; (20) Boiling Point: 267.379 °C at 760 mmHg; (21) Vapour Pressure: 0.008 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1ncccc1CC2
(2) InChI: InChI=1/C8H7NO/c10-7-4-3-6-2-1-5-9-8(6)7/h1-2,5H,3-4H2
(3) InChIKey: ZULJQRMXUOTWBU-UHFFFAOYAI
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