ChemSpider 2D Image | 4-oxo-3H,4H,6H,7H,8H-pyrimido[4,5-b]pyrrolizine-9-carbonitrile | C10H8N4O

4-oxo-3H,4H,6H,7H,8H-pyrimido[4,5-b]pyrrolizine-9-carbonitrile

  • Molecular FormulaC10H8N4O
  • Average mass200.197 Da
  • Monoisotopic mass200.069809 Da
  • ChemSpider ID34498989

More details:

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

1358959-70-2 [RN]
3H-Pyrimido[4,5-b]pyrrolizine-9-carbonitrile, 4,6,7,8-tetrahydro-4-oxo- [ACD/Index Name]
4-oxo-3H,4H,6H,7H,8H-pyrimido[4,5-b]pyrrolizine-9-carbonitrile
4-Oxo-4,6,7,8-tetrahydro-3H-pyrimido[4,5-b]pyrrolizin-9-carbonitril [German] [ACD/IUPAC Name]
4-Oxo-4,6,7,8-tetrahydro-3H-pyrimido[4,5-b]pyrrolizine-9-carbonitrile [ACD/IUPAC Name]
4-Oxo-4,6,7,8-tétrahydro-3H-pyrimido[4,5-b]pyrrolizine-9-carbonitrile [French] [ACD/IUPAC Name]
[1358959-70-2] [RN]
1-oxo-4,6,7,8-tetrahydropyrimido[4,5-b]pyrrolizine-5-carbonitrile
4-Oxo-2,3,4,5-tetrahydro-1H-3a,5,7-triaza-cyclopenta[a]indene-8-carbonitrile
4-oxo-3H,6H,7H,8H-pyrimido[4,5-b]pyrrolizine-9-carbonitrile
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 596.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.8±3.0 kJ/mol
    Flash Point: 314.4±30.1 °C
    Index of Refraction: 1.832
    Molar Refractivity: 53.8±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.77
    ACD/LogD (pH 5.5): 0.97
    ACD/BCF (pH 5.5): 3.19
    ACD/KOC (pH 5.5): 79.89
    ACD/LogD (pH 7.4): 0.97
    ACD/BCF (pH 7.4): 3.19
    ACD/KOC (pH 7.4): 79.88
    Polar Surface Area: 70 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 77.2±7.0 dyne/cm
    Molar Volume: 122.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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