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Search term: ROXOOMBIDGERBZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-[4-(1-Methyl-1H-pyrrol-2-yl)phenyl]-2-(1-pyrrolidinyl)-1-pentanone | C20H26N2O

1-[4-(1-Methyl-1H-pyrrol-2-yl)phenyl]-2-(1-pyrrolidinyl)-1-pentanone

  • Molecular FormulaC20H26N2O
  • Average mass310.433 Da
  • Monoisotopic mass310.204498 Da
  • ChemSpider ID23266369

More details:

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

1-[4-(1-Methyl-1H-pyrrol-2-yl)phenyl]-2-(1-pyrrolidinyl)-1-pentanon [German] [ACD/IUPAC Name]
1-[4-(1-Methyl-1H-pyrrol-2-yl)phenyl]-2-(1-pyrrolidinyl)-1-pentanone [ACD/IUPAC Name]
1-[4-(1-Méthyl-1H-pyrrol-2-yl)phényl]-2-(1-pyrrolidinyl)-1-pentanone [French] [ACD/IUPAC Name]
1-[4-(1-methyl-1H-pyrrol-2-yl)phenyl]-2-(pyrrolidin-1-yl)pentan-1-one
1-Pentanone, 1-[4-(1-methyl-1H-pyrrol-2-yl)phenyl]-2-(1-pyrrolidinyl)- [ACD/Index Name]
1-(4-N-methylpyrrolephenyl)-2-pyrrolidin-1-yl-pentan-1-one
CHEMBL377510
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL377510/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 452.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 227.2±24.6 °C
Index of Refraction: 1.582
Molar Refractivity: 95.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 2.29
ACD/KOC (pH 5.5): 11.77
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 112.73
ACD/KOC (pH 7.4): 579.34
Polar Surface Area: 25 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 40.3±7.0 dyne/cm
Molar Volume: 286.1±7.0 cm3

Click to predict properties on the Chemicalize site


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