ChemSpider 2D Image | Methyl (4E)-1-cyclohexyl-2-methyl-4-(4-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate | C20H22N2O5

Methyl (4E)-1-cyclohexyl-2-methyl-4-(4-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

  • Molecular FormulaC20H22N2O5
  • Average mass370.399 Da
  • Monoisotopic mass370.152863 Da
  • ChemSpider ID68704591

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-1-Cyclohexyl-2-méthyl-4-(4-nitrobenzylidène)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-3-carboxylic acid, 1-cyclohexyl-4,5-dihydro-2-methyl-4-[(4-nitrophenyl)methylene]-5-oxo-, methyl ester, (4E)- [ACD/Index Name]
Methyl (4E)-1-cyclohexyl-2-methyl-4-(4-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Methyl-(4E)-1-cyclohexyl-2-methyl-4-(4-nitrobenzyliden)-5-oxo-4,5-dihydro-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 546.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.4±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 271.78
ACD/KOC (pH 5.5): 1923.17
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 271.78
ACD/KOC (pH 7.4): 1923.17
Polar Surface Area: 92 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 282.9±3.0 cm3

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