ChemSpider 2D Image | (1R,2R,8S)-14-Oxa-7-azatetracyclo[6.6.1.0~1,11~.0~2,7~]pentadeca-9,11-dien-13-one | C13H15NO2

(1R,2R,8S)-14-Oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one

  • Molecular FormulaC13H15NO2
  • Average mass217.264 Da
  • Monoisotopic mass217.110275 Da
  • ChemSpider ID78433298

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R,8S)-14-Oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-on [German] [ACD/IUPAC Name]
(1R,2R,8S)-14-Oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one [ACD/IUPAC Name]
(1R,2R,8S)-14-Oxa-7-azatétracyclo[6.6.1.01,11.02,7]pentadéca-9,11-dién-13-one [French] [ACD/IUPAC Name]
8H-6,11b-Methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one, 9,10,11,11a-tetrahydro-, (6S,11aR,11bR)- [ACD/Index Name]
5610-40-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 459.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 197.0±19.6 °C
Index of Refraction: 1.633
Molar Refractivity: 59.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.74
Polar Surface Area: 30 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 166.1±5.0 cm3

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