ChemSpider 2D Image | (1S,2R,9S,10S)-10-Allyl-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one | C14H22N2O

(1S,2R,9S,10S)-10-Allyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

  • Molecular FormulaC14H22N2O
  • Average mass234.337 Da
  • Monoisotopic mass234.173218 Da
  • ChemSpider ID59650855

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,2R,9S,10S)-10-Allyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-on [German] [ACD/IUPAC Name]
(1S,2R,9S,10S)-10-Allyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one [ACD/IUPAC Name]
(1S,2R,9S,10S)-10-Allyl-7,11-diazatricyclo[7.3.1.02,7]tridécan-6-one [French] [ACD/IUPAC Name]
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, decahydro-4-(2-propen-1-yl)-, (1S,4S,5S,11aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 377.6±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 182.1±24.8 °C
Index of Refraction: 1.554
Molar Refractivity: 68.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.05
Polar Surface Area: 32 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 212.3±5.0 cm3

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