ChemSpider 2D Image | (4R)-7-Chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile | C17H17ClN4O

(4R)-7-Chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[β-carboline-3,4'-piperidine]-4-carbonitrile

  • Molecular FormulaC17H17ClN4O
  • Average mass328.796 Da
  • Monoisotopic mass328.109100 Da
  • ChemSpider ID25058649

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-7-Chlor-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[β-carboline-3,4'-piperidine]-4-carbonitril [German] [ACD/IUPAC Name]
(4R)-7-Chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[β-carboline-3,4'-piperidine]-4-carbonitrile [ACD/IUPAC Name]
(4R)-7-Chloro-9-méthyl-1-oxo-1,2,4,9-tétrahydrospiro[β-carboline-3,4'-piperidine]-4-carbonitrile [French] [ACD/IUPAC Name]
Spiro[piperidine-4,3'-[3H]pyrido[3,4-b]indole]-4'-carbonitrile, 7'-chloro-1',2',4',9'-tetrahydro-9'-methyl-1'-oxo-, (4'R)- [ACD/Index Name]
(1'R)-7'-chloro-5'-methyl-4'-oxo-1',3',4',5'-tetrahydrospiro[piperidine-4,2'-pyrido[3,4-b]indole]-1'-carbonitrile
(4'R)-7'-chloro-9'-methyl-1'-oxo-1',2',4',9'-tetrahydrospiro[piperidine-4,3'-pyrido[3,4-b]indole]-4'-carbonitrile
(4'R)-7'-chloro-9'-methyl-1'-oxo-2',4'-dihydrospiro[piperidine-4,3'-pyrido[3,4-b]indole]-4'-carbonitrile
MB9

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

Density: 1.5±0.1 g/cm3
Boiling Point: 660.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.4±31.5 °C
Index of Refraction: 1.736
Molar Refractivity: 88.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.86
Polar Surface Area: 70 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 220.3±7.0 cm3

Click to predict properties on the Chemicalize site


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