ChemSpider 2D Image | Methyl (4Z)-1-[2-(1-cyclohexen-1-yl)ethyl]-4-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate | C29H31F3N2O3

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

  • Molecular FormulaC29H31F3N2O3
  • Average mass512.563 Da
  • Monoisotopic mass512.228699 Da
  • ChemSpider ID1417544

  • 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-({2,5-diméthyl-1-[2-(trifluorométhyl)phényl]-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-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methylene]-4,5-dihydro-2-methyl-5-oxo-, methyl ester, (4Z)- [ACD/Index Name]
Methyl (4Z)-1-[2-(1-cyclohexen-1-yl)ethyl]-4-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-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-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-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-({2,5-dimethyl-1-[2-(trifluormethyl)phenyl]-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-((2,5-dimethyl-1-(2-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
1-(2-Cyclohex-1-enyl-ethyl)-4-[2,5-dimethyl-1-(2-trifluoromethyl-phenyl)-1H-pyrrol-3-ylmethylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester
499114-26-0 [RN]
AC1LY6CL
AKOS001747354
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A3002/0126469 [DBID]
AO-081/41197054 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 635.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 93.9±3.0 kJ/mol
    Flash Point: 338.3±31.5 °C
    Index of Refraction: 1.566
    Molar Refractivity: 136.4±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 7.33
    ACD/LogD (pH 5.5): 6.45
    ACD/BCF (pH 5.5): 47163.33
    ACD/KOC (pH 5.5): 77081.22
    ACD/LogD (pH 7.4): 6.45
    ACD/BCF (pH 7.4): 47163.33
    ACD/KOC (pH 7.4): 77081.22
    Polar Surface Area: 52 Å2
    Polarizability: 54.1±0.5 10-24cm3
    Surface Tension: 38.2±7.0 dyne/cm
    Molar Volume: 418.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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