ChemSpider 2D Image | 4-[(2S)-2-Methyl-5-oxo-1-pyrrolidinyl]-2-(2-methyl-1-propen-1-yl)-6H-1,3-oxazin-6-one | C13H16N2O3

4-[(2S)-2-Methyl-5-oxo-1-pyrrolidinyl]-2-(2-methyl-1-propen-1-yl)-6H-1,3-oxazin-6-one

  • Molecular FormulaC13H16N2O3
  • Average mass248.278 Da
  • Monoisotopic mass248.116089 Da
  • ChemSpider ID40256756

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(2S)-2-Methyl-5-oxo-1-pyrrolidinyl]-2-(2-methyl-1-propen-1-yl)-6H-1,3-oxazin-6-on [German] [ACD/IUPAC Name]
4-[(2S)-2-Methyl-5-oxo-1-pyrrolidinyl]-2-(2-methyl-1-propen-1-yl)-6H-1,3-oxazin-6-one [ACD/IUPAC Name]
4-[(2S)-2-Méthyl-5-oxo-1-pyrrolidinyl]-2-(2-méthyl-1-propén-1-yl)-6H-1,3-oxazin-6-one [French] [ACD/IUPAC Name]
6H-1,3-Oxazin-6-one, 4-[(2S)-2-methyl-5-oxo-1-pyrrolidinyl]-2-(2-methyl-1-propen-1-yl)- [ACD/Index Name]
Spinoxazine B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 387.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 188.3±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 66.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.53
ACD/KOC (pH 5.5): 161.43
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.53
ACD/KOC (pH 7.4): 161.43
Polar Surface Area: 59 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 198.8±7.0 cm3

Click to predict properties on the Chemicalize site


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