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    BUILDING BLOCK

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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

    BUILDING BLOCK

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