ChemSpider 2D Image | 3-{2,4-Dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoate | C18H17N2O3

3-{2,4-Dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoate

  • Molecular FormulaC18H17N2O3
  • Average mass309.340 Da
  • Monoisotopic mass309.124481 Da
  • ChemSpider ID21202095

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-3-propanoic acid, 5-[(Z)-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-, ion(1-) [ACD/Index Name]
3-{2,4-Dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-yliden)methyl]-1H-pyrrol-3-yl}propanoat [German] [ACD/IUPAC Name]
3-{2,4-Dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoate [ACD/IUPAC Name]
3-{2,4-Diméthyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidène)méthyl]-1H-pyrrol-3-yl}propanoate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 590.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 310.9±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 19.30
ACD/KOC (pH 5.5): 170.05
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.72
Polar Surface Area: 85 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement