ChemSpider 2D Image | Benzyl (2S,3aS,6aS)-octahydrocyclopenta[b]pyrrole-2-carboxylate | C15H19NO2

Benzyl (2S,3aS,6aS)-octahydrocyclopenta[b]pyrrole-2-carboxylate

  • Molecular FormulaC15H19NO2
  • Average mass245.317 Da
  • Monoisotopic mass245.141586 Da
  • ChemSpider ID21489769
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2S,3aS,6aS)-Octahydrocyclopenta[b]pyrrole-2-carboxylate de benzyle [French] [ACD/IUPAC Name]
93779-31-8 [RN]
Benzyl (2S,3aS,6aS)-octahydrocyclopenta[b]pyrrole-2-carboxylate [ACD/IUPAC Name]
Benzyl-(2S,3aS,6aS)-octahydrocyclopenta[b]pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
Cyclopenta[b]pyrrole-2-carboxylic acid, octahydro-, phenylmethyl ester, (2S,3aS,6aS)- [ACD/Index Name]
Phenylmethyl (2S,3aS,6aS)-octahydrocyclopenta[b]pyrrole-2-carboxylate
(2S,3aS,6aS)-Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate
(2S,3as,6AS)-benzyl octahydrocyclopentabpyrrole-2-c arboxylate
(2S,3aS,6aS)-Benzyloctahydrocyclopenta[b]pyrrole-2-carboxylate
(2S,3as,6AS)-octahydro-cyclopentabpyrrole-2-carboxylic acid, phenylmethyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 360.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.6±3.0 kJ/mol
Flash Point: 171.7±23.2 °C
Index of Refraction: 1.549
Molar Refractivity: 69.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.78
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 3.41
ACD/KOC (pH 7.4): 24.34
Polar Surface Area: 38 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 217.3±3.0 cm3

Click to predict properties on the Chemicalize site






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