ChemSpider 2D Image | (1S,3aR,8aS)-1,3a,8-Trimethyl-1-oxido-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl (2-ethylphenyl)carbamate | C22H27N3O3

(1S,3aR,8aS)-1,3a,8-Trimethyl-1-oxido-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl (2-ethylphenyl)carbamate

  • Molecular FormulaC22H27N3O3
  • Average mass381.468 Da
  • Monoisotopic mass381.205231 Da
  • ChemSpider ID25061138

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3aR,8aS)-1,3a,8-Trimethyl-1-oxido-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl (2-ethylphenyl)carbamate [ACD/IUPAC Name]
(1S,3aR,8aS)-1,3a,8-Trimethyl-1-oxido-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl-(2-ethylphenyl)carbamat [German] [ACD/IUPAC Name]
(2-Éthylphényl)carbamate de (1S,3aR,8aS)-1,3a,8-triméthyl-1-oxydo-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-(2-ethylphenyl)-, (1S,3aR,8aS)-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-1-oxidopyrrolo[2,3-b]indol-5-yl ester [ACD/Index Name]
(1S,3aR,8aS)-5-{[(2-ethylphenyl)carbamoyl]oxy}-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-1-ium-1-olate
(1S,3aR,8aS)-5-{[(2-ethylphenyl)carbamoyl]oxy}-1,3a,8-trimethyl-2H,3H,8aH-pyrrolo[2,3-b]indol-1-ium-1-olate
1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A-HEXAHYDROPYRROLO[2,3-B]INDOL-5-YL 2-ETHYLPHENYLCARBAMATE
910661-75-5 [RN]

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: 59 Å2
Polarizability:
Surface Tension:
Molar Volume:

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