ChemSpider 2D Image | 2-Methyl-2-propanyl (3aS,6aS)-5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate | C12H19NO3

2-Methyl-2-propanyl (3aS,6aS)-5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate

  • Molecular FormulaC12H19NO3
  • Average mass225.284 Da
  • Monoisotopic mass225.136490 Da
  • ChemSpider ID32790297

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3aS,6aS)-5-Oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (3aS,6aS)-5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3aS,6aS)-5-oxohexahydrocyclopenta[c]pyrrol-2(1H)-carboxylat [German] [ACD/IUPAC Name]
Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-5-oxo-, 1,1-dimethylethyl ester, (3aS,6aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 325.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 150.8±25.9 °C
Index of Refraction: 1.507
Molar Refractivity: 58.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.71
ACD/KOC (pH 5.5): 89.01
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.71
ACD/KOC (pH 7.4): 89.01
Polar Surface Area: 47 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 197.7±3.0 cm3

Click to predict properties on the Chemicalize site


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