Basic Information | Post buying leads | Suppliers |
Name |
Hexahydrocyclopenta[c]pyrrol-5(1H)-one |
EINECS | N/A |
CAS No. | 96896-09-2 | Density | 1.083 g/cm3 |
PSA | 29.10000 | LogP | 0.57790 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H11NO | Boiling Point | 225.1 °C at 760 mmHg |
Molecular Weight | 125.17 | Flash Point | 106.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
hexahydrocyclopenta[c]pyrrol-5(1H)-one |
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.