ChemSpider 2D Image | (3Z)-4-(1-Methyl-1H-indol-3-yl)-3-buten-2-one | C13H13NO

(3Z)-4-(1-Methyl-1H-indol-3-yl)-3-buten-2-one

  • Molecular FormulaC13H13NO
  • Average mass199.248 Da
  • Monoisotopic mass199.099716 Da
  • ChemSpider ID21473673

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-4-(1-Methyl-1H-indol-3-yl)-3-buten-2-on [German] [ACD/IUPAC Name]
(3Z)-4-(1-Methyl-1H-indol-3-yl)-3-buten-2-one [ACD/IUPAC Name]
(3Z)-4-(1-Méthyl-1H-indol-3-yl)-3-butén-2-one [French] [ACD/IUPAC Name]
3-Buten-2-one, 4-(1-methyl-1H-indol-3-yl)-, (3Z)- [ACD/Index Name]
(Z)-4-(1-Methylindol-3-yl)but-3-en-2-one
1-(1-Methyl-1H-indol-3-yl)-3-oxobut-1-ene, 1-Methyl-3-(3-oxobut-1-en-1-yl)-1H-indole
169057-08-3 [RN]
4-(1-methyl-1H-indol-3-yl)but-3-en-2-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 386.3±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 187.5±20.9 °C
Index of Refraction: 1.560
Molar Refractivity: 61.8±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 74.63
ACD/KOC (pH 5.5): 762.54
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.63
ACD/KOC (pH 7.4): 762.54
Polar Surface Area: 22 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 37.0±7.0 dyne/cm
Molar Volume: 191.2±7.0 cm3

Click to predict properties on the Chemicalize site


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