ChemSpider 2D Image | 2-[(2R)-3-Oxo-1,4-diazaspiro[4.4]non-2-yl]benzonitrile | C14H15N3O

2-[(2R)-3-Oxo-1,4-diazaspiro[4.4]non-2-yl]benzonitrile

  • Molecular FormulaC14H15N3O
  • Average mass241.288 Da
  • Monoisotopic mass241.121506 Da
  • ChemSpider ID32794393

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(2R)-3-Oxo-1,4-diazaspiro[4.4]non-2-yl]benzonitril [German] [ACD/IUPAC Name]
2-[(2R)-3-Oxo-1,4-diazaspiro[4.4]non-2-yl]benzonitrile [ACD/IUPAC Name]
2-[(2R)-3-Oxo-1,4-diazaspiro[4.4]non-2-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[(2R)-3-oxo-1,4-diazaspiro[4.4]non-2-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 504.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.7±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 67.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.26
ACD/KOC (pH 5.5): 61.84
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 2.32
ACD/KOC (pH 7.4): 63.50
Polar Surface Area: 65 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 190.7±5.0 cm3

Click to predict properties on the Chemicalize site


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