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Search term: BJCPHNLDUMBEAA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl (1R,3'R)-3'-cyano-1'-methyl-2-oxo-4'-phenyl-2H-spiro[acenaphthylene-1,2'-pyrrolidine]-3'-carboxylate | C26H22N2O3

Ethyl (1R,3'R)-3'-cyano-1'-methyl-2-oxo-4'-phenyl-2H-spiro[acenaphthylene-1,2'-pyrrolidine]-3'-carboxylate

  • Molecular FormulaC26H22N2O3
  • Average mass410.465 Da
  • Monoisotopic mass410.163055 Da
  • ChemSpider ID30650822

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,3'R)-3'-Cyano-1'-méthyl-2-oxo-4'-phényl-2H-spiro[acenaphthylene-1,2'-pyrrolidine]-3'-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (1R,3'R)-3'-cyano-1'-methyl-2-oxo-4'-phenyl-2H-spiro[acenaphthylene-1,2'-pyrrolidine]-3'-carboxylate [ACD/IUPAC Name]
Ethyl-(1R,3'R)-3'-cyan-1'-methyl-2-oxo-4'-phenyl-2H-spiro[acenaphthylene-1,2'-pyrrolidine]-3'-carboxylat [German] [ACD/IUPAC Name]
Spiro[acenaphthylene-1(2H),2'-pyrrolidine]-3'-carboxylic acid, 3'-cyano-1'-methyl-2-oxo-4'-phenyl-, ethyl ester, (1R,3'R)- [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: 605.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 320.0±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2351.65
ACD/KOC (pH 5.5): 9008.65
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2354.76
ACD/KOC (pH 7.4): 9020.56
Polar Surface Area: 70 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 309.8±5.0 cm3

Click to predict properties on the Chemicalize site


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