ChemSpider 2D Image | (3aS,8aR)-1,3a,8-Trimethyl-5-[(methylcarbamoyl)oxy]-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indolediium | C15H23N3O2

(3aS,8aR)-1,3a,8-Trimethyl-5-[(methylcarbamoyl)oxy]-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indolediium

  • Molecular FormulaC15H23N3O2
  • Average mass277.361 Da
  • Monoisotopic mass277.177917 Da
  • ChemSpider ID21258768
  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3aS,8aR)-1,3a,8-Trimethyl-5-[(methylcarbamoyl)oxy]-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indoldiium [German] [ACD/IUPAC Name]
(3aS,8aR)-1,3a,8-Trimethyl-5-[(methylcarbamoyl)oxy]-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indolediium [ACD/IUPAC Name]
(3aS,8aR)-1,3a,8-Triméthyl-5-[(méthylcarbamoyl)oxy]-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indolediium [French] [ACD/IUPAC Name]
Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), conjugate diacid, (3aS,8aR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 393.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 191.8±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 30.66
Polar Surface Area: 47 Å2
Polarizability:
Surface Tension:
Molar Volume:

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