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| CAS No.: | 14174-83-5 |
|---|---|
| Name: | HEXAHYDRO-PYRROLIZIN-1-ONE |
| Molecular Structure: | |
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| Formula: | C7H11NO |
| Molecular Weight: | 125.1683 |
| Synonyms: | Hexahydropyrrolizin-1-one; |
| Density: | 1.125 g/cm3 |
| Boiling Point: | 204.93 °C at 760 mmHg |
| Flash Point: | 78.064 °C |
| PSA: | 20.31000 |
| LogP: | 0.36150 |
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Specification
The 1H-Pyrrolizin-1-one,hexahydro-, with the CAS registry number 14174-83-5, is also known as Hexahydropyrrolizin-1-one. This chemical's molecular formula is C7H11NO and molecular weight is 125.1683. What's more, its systematic name is called Hexahydro-1H-pyrrolizin-1-one.
Physical properties about 1H-Pyrrolizin-1-one,hexahydro- are: (1)ACD/LogP: 0.36; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.287; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.415; (7)ACD/KOC (pH 7.4): 31.6; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 20.31 Å2; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 34.343 cm3; (14)Molar Volume: 111.213 cm3; (15)Polarizability: 13.615×10-24 cm3; (16)Surface Tension: 40.604 dyne/cm; (17)Density: 1.125 g/cm3; (18)Flash Point: 78.064 °C; (19)Enthalpy of Vaporization: 44.116 kJ/mol; (20)Boiling Point: 204.93 °C at 760 mmHg; (21)Vapour Pressure: 0.257 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C1CC2C(=O)CCN2C1
(2) InChI: InChI=1/C7H11NO/c9-7-3-5-8-4-1-2-6(7)8/h6H,1-5H2
(3) InChIKey: WYOIGGSUICKDNZ-UHFFFAOYAS