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Search term: YGHVWKFNYLLGEJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(1-Pyrrolidinyl)-1(2H)-isoquinolinone | C13H14N2O

3-(1-Pyrrolidinyl)-1(2H)-isoquinolinone

  • Molecular FormulaC13H14N2O
  • Average mass214.263 Da
  • Monoisotopic mass214.110611 Da
  • ChemSpider ID21668589

More details:

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

1(2H)-Isoquinolinone, 3-(1-pyrrolidinyl)- [ACD/Index Name]
18630-99-4 [RN]
3-(1-Pyrrolidinyl)-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
3-(1-Pyrrolidinyl)-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
3-(1-Pyrrolidinyl)-1(2H)-isoquinolinone [ACD/IUPAC Name]
3-(Pyrrolidin-1-Yl)isoquinolin-1(2h)-One
2GQ
3-(pyrrolidin-1-yl)-1,2-dihydroisoquinolin-1-one
3-(PYRROLIDIN-1-YL)-2H-ISOQUINOLIN-1-ONE
3-pyrrolidin-1-ylisoquinolin-1(2H)-one
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 461.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.1±28.7 °C
Index of Refraction: 1.628
Molar Refractivity: 61.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 4.37
ACD/KOC (pH 5.5): 77.90
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.34
ACD/KOC (pH 7.4): 184.29
Polar Surface Area: 32 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 173.5±3.0 cm3

Click to predict properties on the Chemicalize site


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