ChemSpider 2D Image | (3aR,8aS)-8a-[(2S,4S,5R)-5-Vinyl-1-azabicyclo[2.2.2]oct-2-yl]-2,3,8,8a-tetrahydro-3aH-furo[2,3-b]indol-3a-ol | C19H24N2O2

(3aR,8aS)-8a-[(2S,4S,5R)-5-Vinyl-1-azabicyclo[2.2.2]oct-2-yl]-2,3,8,8a-tetrahydro-3aH-furo[2,3-b]indol-3a-ol

  • Molecular FormulaC19H24N2O2
  • Average mass312.406 Da
  • Monoisotopic mass312.183777 Da
  • ChemSpider ID25994923
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(3aR,8aS)-8a-[(2S,4S,5R)-5-Vinyl-1-azabicyclo[2.2.2]oct-2-yl]-2,3,8,8a-tetrahydro-3aH-furo[2,3-b]indol-3a-ol [ACD/IUPAC Name]
(3aR,8aS)-8a-[(2S,4S,5R)-5-Vinyl-1-azabicyclo[2.2.2]oct-2-yl]-2,3,8,8a-tetrahydro-3aH-furo[2,3-b]indol-3a-ol [German] [ACD/IUPAC Name]
(3aR,8aS)-8a-[(2S,4S,5R)-5-Vinyl-1-azabicyclo[2.2.2]oct-2-yl]-2,3,8,8a-tétrahydro-3aH-furo[2,3-b]indol-3a-ol [French] [ACD/IUPAC Name]
3aH-Furo[2,3-b]indol-3a-ol, 8a-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl]-2,3,8,8a-tetrahydro-, (3aR,8aS)- [ACD/Index Name]
3ah-furo(2,3-b)indol-3a-ol, 8a-((1s,2s,4s,5r)-5-ethenyl-1-azabicyclo(2.2.2)oct-2-yl)-2,3,8,8a-tetrahydro-,(3ar,8as)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 487.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 248.8±28.7 °C
Index of Refraction: 1.656
Molar Refractivity: 89.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 45 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 243.0±5.0 cm3

Click to predict properties on the Chemicalize site






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