ChemSpider 2D Image | (1S,2E,6R,7aR)-2-Benzylidene-1,6-dihydroxyhexahydro-3H-pyrrolizin-3-one | C14H15NO3

(1S,2E,6R,7aR)-2-Benzylidene-1,6-dihydroxyhexahydro-3H-pyrrolizin-3-one

  • Molecular FormulaC14H15NO3
  • Average mass245.274 Da
  • Monoisotopic mass245.105194 Da
  • ChemSpider ID30657707

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2E,6R,7aR)-2-Benzyliden-1,6-dihydroxyhexahydro-3H-pyrrolizin-3-on [German] [ACD/IUPAC Name]
(1S,2E,6R,7aR)-2-Benzylidene-1,6-dihydroxyhexahydro-3H-pyrrolizin-3-one [ACD/IUPAC Name]
(1S,2E,6R,7aR)-2-Benzylidène-1,6-dihydroxyhexahydro-3H-pyrrolizin-3-one [French] [ACD/IUPAC Name]
3H-Pyrrolizin-3-one, hexahydro-1,6-dihydroxy-2-(phenylmethylene)-, (1S,2E,6R,7aR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 540.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 280.7±30.1 °C
Index of Refraction: 1.671
Molar Refractivity: 66.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.18
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 49.62
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 7.4): 49.62
Polar Surface Area: 61 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 177.5±5.0 cm3

Click to predict properties on the Chemicalize site


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