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    CAS 533-37-9

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 2,3-cyclopentenopyridine, 533-37-9, Pyrindan, Cyclopenta[b]pyridine, 2,3-cyclopenteno pyridine, 5h-1-pyrindine, 6,7-dihydro-
    Molecular Formula
    C8H9N
    Molecular Weight
    119.16  g/mol
    InChI Key
    KRNSYSYRLQDHDK-UHFFFAOYSA-N
    FDA UNII
    18Z19A103W
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6,7-dihydro-5H-cyclopenta[b]pyridine
    2.1.2 InChI
    InChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H2
    2.1.3 InChI Key
    KRNSYSYRLQDHDK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC2=C(C1)N=CC=C2
    2.2 Other Identifiers
    2.2.1 UNII
    18Z19A103W
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2,3-cyclopentenopyridine

    2.3.2 Depositor-Supplied Synonyms

    1. 2,3-cyclopentenopyridine

    2. 533-37-9

    3. Pyrindan

    4. Cyclopenta[b]pyridine

    5. 2,3-cyclopenteno Pyridine

    6. 5h-1-pyrindine, 6,7-dihydro-

    7. 6,7-dihydro-5h-cyclopenta(b)pyridine

    8. 5h-cyclopenta[b]pyridine, 6,7-dihydro-

    9. Mfcd00005933

    10. 6,7-dihydro-5h-[1]pyrindine

    11. 18z19a103w

    12. 6,7-dihydro-5h-(1)pyrindine

    13. 5h-cyclopenta(b)pyridine, 6,7-dihydro-

    14. Unii-18z19a103w

    15. 5h,6h,7h-cyclopenta[b]pyridine

    16. Einecs 208-564-1

    17. Schembl149347

    18. Schembl8844010

    19. 2,3-cyclopentenopyridine, 98%

    20. Amy8991

    21. Dtxsid70201446

    22. 5h-1-pyrindene, 6,7-dihydro-

    23. 6,7-dihydro-5h-pyrindine

    24. Act01400

    25. Bcp01061

    26. Zinc1846564

    27. Akos015891537

    28. Ac-2007

    29. Cs-w001977

    30. 5h-cyclopenta[b]pyridine,6,7-dihydro-

    31. 6,7-dihydro-5h-cyclopenta[b]pyridine #

    32. As-10927

    33. Sy005163

    34. 9,16-dioxo-10,12,14-octadecatrienoicacid

    35. D3536

    36. Ft-0632326

    37. En300-83944

    38. A15629

    39. Q-100606

    40. Q27252043

    41. F8881-6187

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 119.16 g/mol
    Molecular Formula C8H9N
    XLogP31.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass119.073499291 g/mol
    Monoisotopic Mass119.073499291 g/mol
    Topological Polar Surface Area12.9 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity101
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1