ChemSpider 2D Image | (1R,2R,5S,8R)-2-(Methoxycarbonyl)-8-methyl-3-oxo-8-azoniabicyclo[3.2.1]octane | C10H16NO3

(1R,2R,5S,8R)-2-(Methoxycarbonyl)-8-methyl-3-oxo-8-azoniabicyclo[3.2.1]octane

  • Molecular FormulaC10H16NO3
  • Average mass198.238 Da
  • Monoisotopic mass198.112473 Da
  • ChemSpider ID28533065

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R,5S,8R)-2-(Methoxycarbonyl)-8-methyl-3-oxo-8-azoniabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(1R,2R,5S,8R)-2-(Methoxycarbonyl)-8-methyl-3-oxo-8-azoniabicyclo[3.2.1]octane [ACD/IUPAC Name]
(1R,2R,5S,8R)-2-(Méthoxycarbonyl)-8-méthyl-3-oxo-8-azoniabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 8-methyl-3-oxo-, methyl ester, conjugate acid, (1R,2R,5S,8R)- [ACD/Index Name]
(1R,2R,5S)-2-(methoxycarbonyl)-8-methyl-3-oxo-8-azoniabicyclo[3.2.1]octane
2β-carbomethoxy-3-tropinone
ecgonone methyl ester
ecgononium methyl ester(1+)
  • Miscellaneous

    • Chemical Class:

      An organic cation that is the conjugate acid of ecgonone methyl ester arising from protonation of the tertiary amino group; major species at pH 7.3. ChEBI CHEBI:66941

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

Density:
Boiling Point: 294.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.4±3.0 kJ/mol
Flash Point: 131.7±25.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.14
ACD/LogD (pH 5.5): -1.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.35
Polar Surface Area: 48 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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