ChemSpider 2D Image | (1E,5S,8aS,8bR)-1-Ethylidene-5-methoxy-2-oxo-1,2,5,6,7,8,8a,8b-octahydroazeto[2,1-a]isoindole-4-carboxylate | C14H16NO4

(1E,5S,8aS,8bR)-1-Ethylidene-5-methoxy-2-oxo-1,2,5,6,7,8,8a,8b-octahydroazeto[2,1-a]isoindole-4-carboxylate

  • Molecular FormulaC14H16NO4
  • Average mass262.282 Da
  • Monoisotopic mass262.108490 Da
  • ChemSpider ID34890148

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1E,5S,8aS,8bR)-1-Ethyliden-5-methoxy-2-oxo-1,2,5,6,7,8,8a,8b-octahydroazeto[2,1-a]isoindol-4-carboxylat [German] [ACD/IUPAC Name]
(1E,5S,8aS,8bR)-1-Ethylidene-5-methoxy-2-oxo-1,2,5,6,7,8,8a,8b-octahydroazeto[2,1-a]isoindole-4-carboxylate [ACD/IUPAC Name]
(1E,5S,8aS,8bR)-1-Éthylidène-5-méthoxy-2-oxo-1,2,5,6,7,8,8a,8b-octahydroazéto[2,1-a]isoindole-4-carboxylate [French] [ACD/IUPAC Name]
Azeto[2,1-a]isoindole-4-carboxylic acid, 1-ethylidene-1,2,5,6,7,8,8a,8b-octahydro-5-methoxy-2-oxo-, ion(1-), (1E,5S,8aS,8bR)- [ACD/Index Name]
CHEMBL396509

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

Density:
Boiling Point: 511.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 85.7±6.0 kJ/mol
Flash Point: 263.2±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.24
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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