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    Chemistry

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    Also known as: 1038924-61-6, (s)-5-([1,1'-biphenyl]-4-ylmethyl)pyrrolidin-2-one, (s)-5-((biphenyl-4-yl)methyl)pyrrolidin-2-one, Schembl597775, Bcp12555, Mfcd26401537
    Molecular Formula
    C17H17NO
    Molecular Weight
    251.32  g/mol
    InChI Key
    SOBIWLIICMUXJK-INIZCTEOSA-N
    CAS 1038924-61-6
    1 2D Structure

    CAS 1038924-61-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
    2.1.2 InChI
    InChI=1S/C17H17NO/c19-17-11-10-16(18-17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,18,19)/t16-/m0/s1
    2.1.3 InChI Key
    SOBIWLIICMUXJK-INIZCTEOSA-N
    2.1.4 Canonical SMILES
    C1CC(=O)NC1CC2=CC=C(C=C2)C3=CC=CC=C3
    2.1.5 Isomeric SMILES
    C1CC(=O)N[C@@H]1CC2=CC=C(C=C2)C3=CC=CC=C3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1038924-61-6

    2. (s)-5-([1,1'-biphenyl]-4-ylmethyl)pyrrolidin-2-one

    3. (s)-5-((biphenyl-4-yl)methyl)pyrrolidin-2-one

    4. Schembl597775

    5. Bcp12555

    6. Mfcd26401537

    7. Zinc114182819

    8. Ac-30894

    9. (s)-5-biphenyl-4-ylmethylpyrrolidin-2-one

    10. A854794

    2.3 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 251.32 g/mol
    Molecular Formula C17H17NO
    XLogP33.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count3
    Exact Mass251.131014166 g/mol
    Monoisotopic Mass251.131014166 g/mol
    Topological Polar Surface Area29.1 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity300
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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