ChemSpider 2D Image | (E)-{2-(4-Chlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate | C26H30ClN3O6

(E)-{2-(4-Chlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

  • Molecular FormulaC26H30ClN3O6
  • Average mass515.986 Da
  • Monoisotopic mass515.182312 Da
  • ChemSpider ID4701334

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-{2-(4-Chlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate [ACD/IUPAC Name]
(E)-{2-(4-Chlorophényl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinylidène}[5-(méthoxycarbonyl)-2,4-diméthyl-1H-pyrrol-3-yl]méthanolate [French] [ACD/IUPAC Name]
(E)-{2-(4-Chlorphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinyliden}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolat [German] [ACD/IUPAC Name]
Morpholinium, 4-[3-[(3E)-2-(4-chlorophenyl)-3-[hydroxy[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methylene]-4,5-dioxo-1-pyrrolidinyl]propyl]-, inner salt [ACD/Index Name]
(E)-{2-(4-chlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
methyl 4-[(E)-[2-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

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

    Density:
    Boiling Point: 704.7±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 108.3±3.0 kJ/mol
    Flash Point: 380.0±35.7 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 4.52
    ACD/LogD (pH 5.5): 1.09
    ACD/BCF (pH 5.5): 1.13
    ACD/KOC (pH 5.5): 8.49
    ACD/LogD (pH 7.4): 0.70
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.43
    Polar Surface Area: 116 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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