Cas no 1048849-89-3 (1-cyclohexyl-5-oxo-N-(prop-2-yn-1-yl)pyrrolidine-3-carboxamide)

1-cyclohexyl-5-oxo-N-(prop-2-yn-1-yl)pyrrolidine-3-carboxamide structure
1048849-89-3 structure
Product Name:1-cyclohexyl-5-oxo-N-(prop-2-yn-1-yl)pyrrolidine-3-carboxamide
CAS No:1048849-89-3
MF:C14H20N2O2
MW:248.320803642273
CID:5310694
PubChem ID:46172156
Update Time:2023-08-25

1-cyclohexyl-5-oxo-N-(prop-2-yn-1-yl)pyrrolidine-3-carboxamide Chemical and Physical Properties

Names and Identifiers

    • 1-Cyclohexyl-5-oxo-N-2-propyn-1-yl-3-pyrrolidinecarboxamide
    • AKOS039412561
    • 1-cyclohexyl-5-oxo-N-(prop-2-yn-1-yl)pyrrolidine-3-carboxamide
    • F6782-4254
    • 1048849-89-3
    • Inchi: 1S/C14H20N2O2/c1-2-8-15-14(18)11-9-13(17)16(10-11)12-6-4-3-5-7-12/h1,11-12H,3-10H2,(H,15,18)
    • InChI Key: GWXRDMPIIBKHDC-UHFFFAOYSA-N
    • SMILES: O=C1CC(C(NCC#C)=O)CN1C1CCCCC1

Computed Properties

  • Exact Mass: 248.152477885g/mol
  • Monoisotopic Mass: 248.152477885g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 377
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 49.4?2

Experimental Properties

  • Density: 1.164±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 490.7±45.0 °C(Predicted)
  • pka: 13.69±0.20(Predicted)

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