-
Name
hexahydrocyclopenta[c]pyrrol-5(1H)-one
- EINECS
- CAS No. 96896-09-2
- Density 1.083 g/cm3
- Solubility
- Melting Point
- Formula C7H11NO
- Boiling Point 225.1 °C at 760 mmHg
- Molecular Weight 125.17
- Flash Point 106.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms hexahydrocyclopenta[c]pyrrol-5(1H)-one
- PSA 29.10000
- LogP 0.57790
Hexahydrocyclopenta[c]pyrrol-5(1H)-one Specification
The Hexahydrocyclopenta[c]pyrrol-5(1H)-one, with cas registry number 96896-09-2, has the systematic name of cyclopenta[c]pyrrol-5(1H)-one, hexahydro-. And it is also named cyclopenta[c]pyrrol-5(1H)-one, hexahydro-.
Physical properties of Hexahydrocyclopenta[c]pyrrol-5(1H)-one: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 29.1 Å2; (10)Index of Refraction: 1.497; (11)Molar Refractivity: 33.81 cm3; (12)Molar Volume: 115.4 cm3; (13)Polarizability: 13.4×10-24cm3; (14)Surface Tension: 34.8 dyne/cm; (15)Enthalpy of Vaporization: 46.16 kJ/mol; (16)Vapour Pressure: 0.0879 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:C1C2CNCC2CC1=O;
(2)InChI:InChI=1/C7H11NO/c9-7-1-5-3-8-4-6(5)2-7/h5-6,8H,1-4H2;
(3)InChIKey:XRSFPEFHACEZSM-UHFFFAOYAW;
(4)Std. InChI:InChI=1S/C7H11NO/c9-7-1-5-3-8-4-6(5)2-7/h5-6,8H,1-4H2;
(5)Std. InChIKey:XRSFPEFHACEZSM-UHFFFAOYSA-N.
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