ChemSpider 2D Image | (2E)-1-(5-Chloro-1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-(dimethylamino)-2-propen-1-one | C15H18ClN3O

(2E)-1-(5-Chloro-1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-(dimethylamino)-2-propen-1-one

  • Molecular FormulaC15H18ClN3O
  • Average mass291.776 Da
  • Monoisotopic mass291.113831 Da
  • ChemSpider ID27473878

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(5-Chlor-1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-(dimethylamino)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(5-Chloro-1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-(dimethylamino)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(5-Chloro-1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-(diméthylamino)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[5-chloro-1-(1-methylethyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-3-(dimethylamino)-, (2E)- [ACD/Index Name]
(2E)-1-[5-Chloro-1-(propan-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one
(E)-1-(5-chloro-1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one
(E)-1-(5-Chloro-1-isopropyl-1H-pyrrolo[2,3-c]-pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one
(E)-1-(5-chloro-1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one
[1221153-81-6] [RN]
1221153-81-6 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 437.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.5±3.0 kJ/mol
    Flash Point: 218.6±28.7 °C
    Index of Refraction: 1.582
    Molar Refractivity: 82.3±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.77
    ACD/LogD (pH 5.5): 2.64
    ACD/BCF (pH 5.5): 54.20
    ACD/KOC (pH 5.5): 543.97
    ACD/LogD (pH 7.4): 2.80
    ACD/BCF (pH 7.4): 79.04
    ACD/KOC (pH 7.4): 793.19
    Polar Surface Area: 38 Å2
    Polarizability: 32.6±0.5 10-24cm3
    Surface Tension: 39.1±7.0 dyne/cm
    Molar Volume: 246.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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