ChemSpider 2D Image | (4S,4aS)-1-Imino-4,7-dimethyl-7-vinylhexahydropyrrolo[1,2-c]pyrimidin-3(4H)-one | C11H17N3O

(4S,4aS)-1-Imino-4,7-dimethyl-7-vinylhexahydropyrrolo[1,2-c]pyrimidin-3(4H)-one

  • Molecular FormulaC11H17N3O
  • Average mass207.272 Da
  • Monoisotopic mass207.137161 Da
  • ChemSpider ID35518530
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(4S,4aS)-1-Imino-4,7-dimethyl-7-vinylhexahydropyrrolo[1,2-c]pyrimidin-3(4H)-on [German] [ACD/IUPAC Name]
(4S,4aS)-1-Imino-4,7-dimethyl-7-vinylhexahydropyrrolo[1,2-c]pyrimidin-3(4H)-one [ACD/IUPAC Name]
(4S,4aS)-1-Imino-4,7-diméthyl-7-vinylhexahydropyrrolo[1,2-c]pyrimidin-3(4H)-one [French] [ACD/IUPAC Name]
Pyrrolo[1,2-c]pyrimidin-3(4H)-one, 7-ethenylhexahydro-1-imino-4,7-dimethyl-, (4S,4aS)- [ACD/Index Name]
Arenaine

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 57.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.15
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 36.05
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.22
ACD/KOC (pH 7.4): 61.52
Polar Surface Area: 56 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 165.0±7.0 cm3

Click to predict properties on the Chemicalize site






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