ChemSpider 2D Image | 4-Cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate | C20H17N3O3

4-Cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate

  • Molecular FormulaC20H17N3O3
  • Average mass347.367 Da
  • Monoisotopic mass347.126984 Da
  • ChemSpider ID28663705
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S,5'R)-2-Oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate de 4-cyanobenzyle [French] [ACD/IUPAC Name]
4-Cyanbenzyl-(3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylat [German] [ACD/IUPAC Name]
4-Cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate [ACD/IUPAC Name]
Spiro[3H-indole-3,3'-pyrrolidine]-5'-carboxylic acid, 1,2-dihydro-2-oxo-, (4-cyanophenyl)methyl ester, (3S,5'R)- [ACD/Index Name]
09B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 602.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.4±31.5 °C
Index of Refraction: 1.664
Molar Refractivity: 93.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.16
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 7.88
ACD/KOC (pH 7.4): 131.47
Polar Surface Area: 91 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 252.4±5.0 cm3

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