ChemSpider 2D Image | (1R,3aS,8aS)-5-{[(2-Ethylphenyl)carbamoyl]oxy}-1-hydroxy-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium | C22H28N3O3

(1R,3aS,8aS)-5-{[(2-Ethylphenyl)carbamoyl]oxy}-1-hydroxy-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium

  • Molecular FormulaC22H28N3O3
  • Average mass382.475 Da
  • Monoisotopic mass382.212524 Da
  • ChemSpider ID34450453

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,3aS,8aS)-5-{[(2-Ethylphenyl)carbamoyl]oxy}-1-hydroxy-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium [German] [ACD/IUPAC Name]
(1R,3aS,8aS)-5-{[(2-Ethylphenyl)carbamoyl]oxy}-1-hydroxy-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium [ACD/IUPAC Name]
(1R,3aS,8aS)-5-{[(2-Éthylphényl)carbamoyl]oxy}-1-hydroxy-1,3a,8-triméthyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium [French] [ACD/IUPAC Name]
Pyrrolo[2,3-b]indolium, 5-[[[(2-ethylphenyl)amino]carbonyl]oxy]-1,2,3,3a,8,8a-hexahydro-1-hydroxy-1,3a,8-trimethyl-, (1R,3aS,8aS)- [ACD/Index Name]
2-ethylphenylgeneserine N-oxide

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.01
ACD/KOC (pH 5.5): 141.17
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.93
ACD/KOC (pH 7.4): 192.47
Polar Surface Area: 62 Å2
Polarizability:
Surface Tension:
Molar Volume:

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