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    CAS 49805-30-3

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    CAS 49805-30-3
    Also known as: 49805-30-3, 3-azabicyclo[2.2.1]hept-5-en-2-one, Rac 2-azabicyclo[2.2.1]hept-5-en-3-one, (+/-)-2-azabicyclo[2.2.1]hept-5-en-3-one, (-)-2-azabicyclo[2.2.1]hept-5-en-3-one, Vince lactam
    Molecular Formula
    C6H7NO
    Molecular Weight
    109.13  g/mol
    InChI Key
    DDUFYKNOXPZZIW-UHFFFAOYSA-N
    1 2D Structure

    CAS 49805-30-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-azabicyclo[2.2.1]hept-5-en-3-one
    2.1.2 InChI
    InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)
    2.1.3 InChI Key
    DDUFYKNOXPZZIW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C2C=CC1NC2=O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 2-abheo

    2. 2-azabicyclo(2.2.1)hept-5-en-3-one

    3. 6-azabicyclo(3.2.0)hept-3-en-7-one

    2.2.2 Depositor-Supplied Synonyms

    1. 49805-30-3

    2. 3-azabicyclo[2.2.1]hept-5-en-2-one

    3. Rac 2-azabicyclo[2.2.1]hept-5-en-3-one

    4. (+/-)-2-azabicyclo[2.2.1]hept-5-en-3-one

    5. (-)-2-azabicyclo[2.2.1]hept-5-en-3-one

    6. Vince Lactam

    7. Mfcd00211274

    8. (1s)-(+)-2-azabicyclo[2.2.1]hept-5-en-3-one

    9. 2-azabicyclo(2.2.1)hept-5-en-3-one

    10. 3-oxo-2-azabicyclo[2.2.1]hept-5-ene

    11. Mfcd00211275

    12. (+)-2-azabicyclo[2.2.1]hept-5-en-3-one

    13. 4-amino-2-cyclopentene-1-carboxylic Acid Lactam

    14. Ec 421-830-3

    15. (r,s)-2-azabicyclo(2.2.1)hept-5-en-3-one

    16. Schembl548616

    17. (-)-(1r,4s)-2-azabicyclo[2.2.1]hept-5-en-3-one

    18. Dtxsid40868505

    19. Act01813

    20. Mfcd00213364

    21. Azabicyclo[2.2.1]hept-5-en-3-one

    22. Akos006223009

    23. Ac-6114

    24. Cs-w019811

    25. Sb11075

    26. Sb18483

    27. Sb18484

    28. Ds-11069

    29. Sy004961

    30. Sy096758

    31. 2-azabicyclo[2.2.1]hept-5-en-3-one #

    32. Db-005189

    33. A1359

    34. Ft-0600312

    35. Ft-0601151

    36. Ft-0643143

    37. En300-82926

    38. (-)-2-azabicyclo [2.2.1] Hept-5-en-3one

    39. (-)-2-azabicyclo [2.2.1]hept-5-en-3-one

    40. (-)-2-azabicyclo[2,2,1]hept-5-en-3-one

    41. Racemic 2-aza Bicyclo[2.2.1]hept-5-ene-3-one

    42. (+/-)-2-azabicyclo [2.2.1]hept-5-en-3-one

    43. (+/-)-2-azabicyclo[2.2.1 ]hept-5-en-3-one

    44. 2-azabicyclo[2.2.1]hept-5-en-3-one, (1s)-

    45. A827858

    46. J-500009

    47. J-650014

    48. J-650015

    49. J-650392

    50. Q-200006

    51. (1r)-(-)-2-azabicyclo[2,2,1]hept-5-en-3-one

    52. 61865-48-3

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 109.13 g/mol
    Molecular Formula C6H7NO
    XLogP30.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass109.052763847 g/mol
    Monoisotopic Mass109.052763847 g/mol
    Topological Polar Surface Area29.1 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity162
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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