ChemSpider 2D Image | Methyl 4-[(E)-{1-[2-(diethylamino)ethyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxo-3-pyrrolidinylidene}(hydroxy)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate | C27H33N3O7

Methyl 4-[(E)-{1-[2-(diethylamino)ethyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxo-3-pyrrolidinylidene}(hydroxy)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC27H33N3O7
  • Average mass511.567 Da
  • Monoisotopic mass511.231842 Da
  • ChemSpider ID4751902

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[(E)-[1-[2-(diethylamino)ethyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxo-3-pyrrolidinylidene]hydroxymethyl]-3,5-dimethyl-, methyl ester [ACD/Index Name]
4-[(E)-{1-[2-(Diéthylamino)éthyl]-2-[4-(méthoxycarbonyl)phényl]-4,5-dioxo-3-pyrrolidinylidène}(hydroxy)méthyl]-3,5-diméthyl-1H-pyrrole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-[(E)-{1-[2-(diethylamino)ethyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxo-3-pyrrolidinylidene}(hydroxy)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl-4-[(E)-{1-[2-(diethylamino)ethyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxo-3-pyrrolidinyliden}(hydroxy)methyl]-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
(E)-[1-[2-(diethylazaniumyl)ethyl]-2-(4-methoxycarbonylphenyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate
(E)-{1-[2-(diethylammonio)ethyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 679.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.8±3.0 kJ/mol
    Flash Point: 364.9±34.3 °C
    Index of Refraction: 1.594
    Molar Refractivity: 136.7±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 3
    ACD/LogP: 5.23
    ACD/LogD (pH 5.5): 1.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.22
    ACD/LogD (pH 7.4): 1.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 6.63
    Polar Surface Area: 129 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 53.9±3.0 dyne/cm
    Molar Volume: 403.1±3.0 cm3

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