ChemSpider 2D Image | (1R,4S)-2-Azabicyclo[2.2.0]hex-5-en-3-one | C5H5NO

(1R,4S)-2-Azabicyclo[2.2.0]hex-5-en-3-one

  • Molecular FormulaC5H5NO
  • Average mass95.099 Da
  • Monoisotopic mass95.037117 Da
  • ChemSpider ID32973400
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,4S)-2-Azabicyclo[2.2.0]hex-5-en-3-on [German] [ACD/IUPAC Name]
(1R,4S)-2-Azabicyclo[2.2.0]hex-5-en-3-one [ACD/IUPAC Name]
(1R,4S)-2-Azabicyclo[2.2.0]hex-5-én-3-one [French] [ACD/IUPAC Name]
2-Azabicyclo[2.2.0]hex-5-en-3-one, (1R,4S)- [ACD/Index Name]
332011-92-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 305.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.6±3.0 kJ/mol
Flash Point: 168.5±12.8 °C
Index of Refraction: 1.574
Molar Refractivity: 24.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.48
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.48
Polar Surface Area: 29 Å2
Polarizability: 9.6±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 73.3±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement