ChemSpider 2D Image | (1R,5R)-1-Phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione | C11H9NO2

(1R,5R)-1-Phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione

  • Molecular FormulaC11H9NO2
  • Average mass187.195 Da
  • Monoisotopic mass187.063324 Da
  • ChemSpider ID110549737

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-1-Phenyl-3-azabicyclo[3.1.0]hexan-2,4-dion [German] [ACD/IUPAC Name]
(1R,5R)-1-Phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione [ACD/IUPAC Name]
(1R,5R)-1-Phényl-3-azabicyclo[3.1.0]hexane-2,4-dione [French] [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-2,4-dione, 1-phenyl-, (1R,5R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 395.2±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 184.0±25.0 °C
Index of Refraction: 1.644
Molar Refractivity: 49.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.25
ACD/KOC (pH 5.5): 80.93
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.25
ACD/KOC (pH 7.4): 80.92
Polar Surface Area: 46 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 135.4±3.0 cm3

Click to predict properties on the Chemicalize site


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