ChemSpider 2D Image | (2Z)-2-Cyano-N-cyclohexyl-3-(1-cyclopentyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-propenimidic acid | C21H29N3O

(2Z)-2-Cyano-N-cyclohexyl-3-(1-cyclopentyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-propenimidic acid

  • Molecular FormulaC21H29N3O
  • Average mass339.474 Da
  • Monoisotopic mass339.231049 Da
  • ChemSpider ID57309022

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Cyan-N-cyclohexyl-3-(1-cyclopentyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-propenimidsäure [German] [ACD/IUPAC Name]
(2Z)-2-Cyano-N-cyclohexyl-3-(1-cyclopentyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-propenimidic acid [ACD/IUPAC Name]
2-Propenimidic acid, 2-cyano-N-cyclohexyl-3-(1-cyclopentyl-2,5-dimethyl-1H-pyrrol-3-yl)-, (2Z)- [ACD/Index Name]
Acide (2Z)-2-cyano-N-cyclohexyl-3-(1-cyclopentyl-2,5-diméthyl-1H-pyrrol-3-yl)-2-propénimidique [French] [ACD/IUPAC Name]
(Z)-2-CYANO-N-CYCLOHEXYL-3-(1-CYCLOPENTYL-2,5-DIMETHYLPYRROL-3-YL)PROP-2-ENAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 539.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 280.2±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 101.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 40.37
ACD/KOC (pH 5.5): 137.23
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 36.19
ACD/KOC (pH 7.4): 123.01
Polar Surface Area: 61 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 292.9±7.0 cm3

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