Found 1 result

Search term: KKOQTAOXNQUZKU (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (1R,9R,13R)-1-Amino-11-(hydroxymethyl)-13-vinyl-6-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,10-trien-5-one | C15H18N2O2

(1R,9R,13R)-1-Amino-11-(hydroxymethyl)-13-vinyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one

  • Molecular FormulaC15H18N2O2
  • Average mass258.316 Da
  • Monoisotopic mass258.136841 Da
  • ChemSpider ID24690344
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R,9R,13R)-1-Amino-11-(hydroxymethyl)-13-vinyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-on [German] [ACD/IUPAC Name]
(1R,9R,13R)-1-Amino-11-(hydroxymethyl)-13-vinyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one [ACD/IUPAC Name]
(1R,9R,13R)-1-Amino-11-(hydroxyméthyl)-13-vinyl-6-azatricyclo[7.3.1.02,7]tridéca-2(7),3,10-trién-5-one [French] [ACD/IUPAC Name]
5,9-Methanocycloocta[b]pyridin-2(1H)-one, 5-amino-11-ethenyl-5,6,9,10-tetrahydro-7-(hydroxymethyl)-, (5R,9R,11R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 556.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.3±6.0 kJ/mol
Flash Point: 290.2±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 73.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -2.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.71
Polar Surface Area: 75 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 202.0±5.0 cm3

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