ChemSpider 2D Image | (4S)-4-(5-Imino-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1-phenyl-2-pyrrolidinone | C12H12N4O2

(4S)-4-(5-Imino-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1-phenyl-2-pyrrolidinone

  • Molecular FormulaC12H12N4O2
  • Average mass244.249 Da
  • Monoisotopic mass244.096024 Da
  • ChemSpider ID98607197

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-(5-Imino-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1-phenyl-2-pyrrolidinon [German] [ACD/IUPAC Name]
(4S)-4-(5-Imino-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1-phenyl-2-pyrrolidinone [ACD/IUPAC Name]
(4S)-4-(5-Imino-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1-phényl-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 4-(4,5-dihydro-5-imino-1,3,4-oxadiazol-2-yl)-1-phenyl-, (4S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 437.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 218.6±31.5 °C
Index of Refraction: 1.732
Molar Refractivity: 64.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.43
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.44
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.48
Polar Surface Area: 78 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 65.9±7.0 dyne/cm
Molar Volume: 161.1±7.0 cm3

Click to predict properties on the Chemicalize site


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