ChemSpider 2D Image | 1-[(3E)-3-Pentenoyl]-3-pyrrolidinone | C9H13NO2

1-[(3E)-3-Pentenoyl]-3-pyrrolidinone

  • Molecular FormulaC9H13NO2
  • Average mass167.205 Da
  • Monoisotopic mass167.094635 Da
  • ChemSpider ID30774004

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[(3E)-3-Pentenoyl]-3-pyrrolidinon [German] [ACD/IUPAC Name]
1-[(3E)-3-Pentenoyl]-3-pyrrolidinone [ACD/IUPAC Name]
1-[(3E)-3-Pentenoyl]-3-pyrrolidinone [French] [ACD/IUPAC Name]
3-Pyrrolidinone, 1-[(3E)-1-oxo-3-penten-1-yl]- [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: 287.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.6±3.0 kJ/mol
Flash Point: 124.8±17.7 °C
Index of Refraction: 1.513
Molar Refractivity: 45.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.81
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.81
Polar Surface Area: 37 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 150.7±3.0 cm3

Click to predict properties on the Chemicalize site


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