ChemSpider 2D Image | Methyl (4Z)-1-[2-(1-cyclohexen-1-yl)ethyl]-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate | C30H34N2O5

Methyl (4Z)-1-[2-(1-cyclohexen-1-yl)ethyl]-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

  • Molecular FormulaC30H34N2O5
  • Average mass502.601 Da
  • Monoisotopic mass502.246765 Da
  • ChemSpider ID4767657

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-1-[2-(1-Cyclohexén-1-yl)éthyl]-4-({1-[2-(méthoxycarbonyl)phényl]-2,5-diméthyl-1H-pyrrol-3-yl}méthylène)-2-méthyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-3-carboxylic acid, 1-[2-(1-cyclohexen-1-yl)ethyl]-4,5-dihydro-4-[[1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-2-methyl-5-oxo-, methyl ester, (4Z)- [ACD/Index Name]
Methyl (4Z)-1-[2-(1-cyclohexen-1-yl)ethyl]-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Methyl-(4Z)-1-[2-(1-cyclohexen-1-yl)ethyl]-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylen)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
(Z)-methyl 1-(2-(cyclohex-1-en-1-yl)ethyl)-4-((1-(2-(methoxycarbonyl)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
1-(2-Cyclohex-1-enyl-ethyl)-4-[1-(2-methoxycarbonyl-phenyl)-2,5-dimethyl-1H-pyrrol-3-ylmethylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester
757947-33-4 [RN]
methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl (4Z)-1-[2-(cyclohexen-1-yl)ethyl]-4-[[1-(2-methoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methyl-5-oxopyrrole-3-carboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 681.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.0±3.0 kJ/mol
    Flash Point: 366.2±31.5 °C
    Index of Refraction: 1.591
    Molar Refractivity: 142.9±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 6.74
    ACD/LogD (pH 5.5): 5.78
    ACD/BCF (pH 5.5): 14421.17
    ACD/KOC (pH 5.5): 33006.57
    ACD/LogD (pH 7.4): 5.78
    ACD/BCF (pH 7.4): 14421.17
    ACD/KOC (pH 7.4): 33006.57
    Polar Surface Area: 78 Å2
    Polarizability: 56.7±0.5 10-24cm3
    Surface Tension: 42.5±7.0 dyne/cm
    Molar Volume: 422.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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