ChemSpider 2D Image | Benzyl (1S)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate | C15H17NO3

Benzyl (1S)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

  • Molecular FormulaC15H17NO3
  • Average mass259.300 Da
  • Monoisotopic mass259.120850 Da
  • ChemSpider ID34065858

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-3-Oxo-8-azabicyclo[3.2.1]octane-8-carboxylate de benzyle [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-oxo-, phenylmethyl ester, (1S)- [ACD/Index Name]
Benzyl (1S)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate [ACD/IUPAC Name]
Benzyl-(1S)-3-oxo-8-azabicyclo[3.2.1]octan-8-carboxylat [German] [ACD/IUPAC Name]
(1S)-BENZYL 3-OXO-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATE
130753-13-8 [RN]
MFCD00673779 [MDL number]
MFCD07776632 [MDL number]
MFCD27987986
N-Cbz-Notropinone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 415.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.2±28.7 °C
Index of Refraction: 1.580
Molar Refractivity: 69.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.01
ACD/KOC (pH 5.5): 218.41
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.01
ACD/KOC (pH 7.4): 218.41
Polar Surface Area: 47 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 208.8±3.0 cm3

Click to predict properties on the Chemicalize site


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