Cas no 51252-31-4 (Bicyclo[2.2.1]hept-5-ene-2,3-dicarbonitrile)

Bicyclo[2.2.1]hept-5-ene-2,3-dicarbonitrile structure
51252-31-4 structure
Product Name:Bicyclo[2.2.1]hept-5-ene-2,3-dicarbonitrile
CAS No:51252-31-4
MF:C9H8N2
MW:144.173221588135
CID:386872
PubChem ID:245626
Update Time:2025-04-19

Bicyclo[2.2.1]hept-5-ene-2,3-dicarbonitrile Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.1]hept-5-ene-2,3-dicarbonitrile
    • (+-)
    • (+-)-(4ar,8at)-1,2,3,4,4a,5,8,8a-octahydro-naphthalene
    • (+-)-(4ar,8at)-1,2,3,4,4a,5,8,8a-Octahydro-naphthalin
    • (+-)-trans-octahydro-naphthalen-1-one
    • (4aR,8aR)-rel-1,2,3,4,4a,5,8,8a-Octahydronaphthalene
    • 2,3-dicyanonorbornene
    • 5,6-dicyanobicyclo< 2.2.1> hept-2-ene
    • trans-2,3-dicyanobicyclo(2.2.1.)-hept-5-ene
    • trans-bicyclo[4.4.0]decane-2-one
    • trans-bicyclo< 2.2.1> hept-2-ene-5,6-dinitrile
    • trans-decalone
    • trans-octalin
    • 38447-89-1
    • NSC57744
    • 51252-31-4
    • SCHEMBL5349953
    • NSC-134898
    • DTXSID30959335
    • NSC-57744
    • NSC134898
    • Inchi: 1S/C9H8N2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-9H,3H2
    • InChI Key: DJNPQHBMESQZIP-UHFFFAOYSA-N
    • SMILES: N#CC1C(C#N)C2C=CC1C2

Computed Properties

  • Exact Mass: 144.06884
  • Monoisotopic Mass: 144.068748264g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 268
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 47.6?2

Experimental Properties

  • PSA: 47.58
  • LogP: 1.47186
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