Cas no 28144-18-5 (Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,2-(2-propen-1-yl)-, (1R,2R,4R)-rel-)

Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,2-(2-propen-1-yl)-, (1R,2R,4R)-rel- structure
28144-18-5 structure
Product Name:Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,2-(2-propen-1-yl)-, (1R,2R,4R)-rel-
CAS No:28144-18-5
MF:C11H13N
MW:159.227622747421
CID:272912
PubChem ID:260726
Update Time:2025-04-19

Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,2-(2-propen-1-yl)-, (1R,2R,4R)-rel- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,2-(2-propen-1-yl)-, (1R,2R,4R)-rel-
    • (5S)-5-prop-2-enylbicyclo[2.2.1]hept-2-ene-5-carbonitrile
    • 1,3-Benzenedicarbonyl dichloride, 5-ethynyl-
    • 5-ethynylisophthalic acid chloride
    • 5exo-Allyl-5endo-cyan-norbornen-(2)
    • CTK1B4036
    • 28144-18-5
    • 2-(Prop-2-en-1-yl)bicyclo[2.2.1]hept-5-ene-2-carbonitrile
    • DTXSID00950894
    • NSC-92382
    • NSC92382
    • Inchi： 1S/C11H13N/c1-2-5-11(8-12)7-9-3-4-10(11)6-9/h2-4,9-10H,1,5-7H2/t9?,10?,11-/m1/s1
    • InChI Key： NIIOXSCKCHMHFA-VQXHTEKXSA-N
    • SMILES： N#C[C@@]1(CC=C)CC2C=CC1C2

Computed Properties

  • Exact Mass: 159.10489
  • Monoisotopic Mass: 159.104799419g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 281
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • PSA: 23.79
  • LogP: 2.66848

Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,2-(2-propen-1-yl)-, (1R,2R,4R)-rel- Related Literature

28144-18-5 (Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,2-(2-propen-1-yl)-, (1R,2R,4R)-rel-) Related Products

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