ChemSpider 2D Image | 1-Acetyl-2-amino-4-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile | C7H7N3O2

1-Acetyl-2-amino-4-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile

  • Molecular FormulaC7H7N3O2
  • Average mass165.149 Da
  • Monoisotopic mass165.053833 Da
  • ChemSpider ID24193762

More details:

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

1-Acetyl-2-amino-4-oxo-4,5-dihydro-1H-pyrrol-3-carbonitril [German] [ACD/IUPAC Name]
1-Acetyl-2-amino-4-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile [ACD/IUPAC Name]
1-Acétyl-2-amino-4-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile [French] [ACD/IUPAC Name]
1H-Pyrrole-3-carbonitrile, 1-acetyl-2-amino-4,5-dihydro-4-oxo- [ACD/Index Name]
590374-61-1 [RN]
[590374-61-1] [RN]
1-Acetyl-2-amino-4,5-dihydro-4-oxo-1H-pyrrol-3-carbonitrile
1-Acetyl-2-amino-4,5-dihydro-4-oxo-1H-pyrrole-3-carbonitrile
1-Acetyl-2-amino-4-oxo-4,5-dihydropyrrole-3-carbonitrile
1-acetyl-2-amino-4-oxo-5H-pyrrole-3-carbonitrile
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 409.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.2±3.0 kJ/mol
    Flash Point: 201.4±28.7 °C
    Index of Refraction: 1.588
    Molar Refractivity: 39.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -2.07
    ACD/LogD (pH 5.5): -1.42
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.04
    ACD/LogD (pH 7.4): -1.42
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.04
    Polar Surface Area: 87 Å2
    Polarizability: 15.7±0.5 10-24cm3
    Surface Tension: 67.5±5.0 dyne/cm
    Molar Volume: 117.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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