ChemSpider 2D Image | (3aS)-1,1,3a,8-Tetramethyl-5-[(phenylcarbamoyl)oxy]-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium | C21H26N3O2

(3aS)-1,1,3a,8-Tetramethyl-5-[(phenylcarbamoyl)oxy]-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium

  • Molecular FormulaC21H26N3O2
  • Average mass352.449 Da
  • Monoisotopic mass352.201965 Da
  • ChemSpider ID25059720

  • Charge - Charge

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3aS)-1,1,3a,8-Tetramethyl-5-[(phenylcarbamoyl)oxy]-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium [German] [ACD/IUPAC Name]
(3aS)-1,1,3a,8-Tetramethyl-5-[(phenylcarbamoyl)oxy]-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium [ACD/IUPAC Name]
(3aS)-1,1,3a,8-Tétraméthyl-5-[(phénylcarbamoyl)oxy]-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium [French] [ACD/IUPAC Name]
Pyrrolo[2,3-b]indolium, 1,2,3,3a,8,8a-hexahydro-1,1,3a,8-tetramethyl-5-[[(phenylamino)carbonyl]oxy]-, (3aS)- [ACD/Index Name]

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: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.27
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.55
ACD/LogD (pH 7.4): -1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.55
Polar Surface Area: 42 Å2
Polarizability:
Surface Tension:
Molar Volume:

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