ChemSpider 2D Image | (2Z)-3-(Dimethylamino)-2-(1H-indol-3-ylcarbonyl)acrylonitrile | C14H13N3O

(2Z)-3-(Dimethylamino)-2-(1H-indol-3-ylcarbonyl)acrylonitrile

  • Molecular FormulaC14H13N3O
  • Average mass239.273 Da
  • Monoisotopic mass239.105865 Da
  • ChemSpider ID30654111

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(Dimethylamino)-2-(1H-indol-3-ylcarbonyl)acrylonitril [German] [ACD/IUPAC Name]
(2Z)-3-(Dimethylamino)-2-(1H-indol-3-ylcarbonyl)acrylonitrile [ACD/IUPAC Name]
(2Z)-3-(Diméthylamino)-2-(1H-indol-3-ylcarbonyl)acrylonitrile [French] [ACD/IUPAC Name]
1H-Indole-3-propanenitrile, α-[(dimethylamino)methylene]-β-oxo-, (αZ)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 522.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.7±30.1 °C
Index of Refraction: 1.651
Molar Refractivity: 70.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.70
ACD/KOC (pH 5.5): 325.27
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.70
ACD/KOC (pH 7.4): 325.31
Polar Surface Area: 60 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 193.5±3.0 cm3

Click to predict properties on the Chemicalize site


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