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Search term: BHIFMMCFHOGAGC-ABAIWWIYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R,7aS)-3-(1H-Indol-3-ylmethyl)tetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one | C15H16N2O2

(3R,7aS)-3-(1H-Indol-3-ylmethyl)tetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one

  • Molecular FormulaC15H16N2O2
  • Average mass256.300 Da
  • Monoisotopic mass256.121185 Da
  • ChemSpider ID58135314

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,7aS)-3-(1H-Indol-3-ylmethyl)tetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-on [German] [ACD/IUPAC Name]
(3R,7aS)-3-(1H-Indol-3-ylmethyl)tetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one [ACD/IUPAC Name]
(3R,7aS)-3-(1H-Indol-3-ylméthyl)tétrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one [French] [ACD/IUPAC Name]
Pyrrolo[2,1-b]oxazol-5(6H)-one, tetrahydro-3-(1H-indol-3-ylmethyl)-, (3R,7aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 511.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 262.8±25.4 °C
Index of Refraction: 1.677
Molar Refractivity: 72.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.20
ACD/KOC (pH 5.5): 170.39
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.20
ACD/KOC (pH 7.4): 170.39
Polar Surface Area: 45 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 191.9±5.0 cm3

Click to predict properties on the Chemicalize site


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