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    BUILDING BLOCK

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    Chemistry

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    Also known as: 26171-04-0, (2z)-1-ethyl-2-(nitromethylidene)pyrrolidine, Schembl11665470, 1-ethyl-2-nitromethylenepyrrolidine, (e)-1-ethyl-2-(nitromethylene)pyrrolidine
    Molecular Formula
    C7H12N2O2
    Molecular Weight
    156.18  g/mol
    InChI Key
    MSXAUUYIGJZVTR-UHFFFAOYSA-N
    CAS 26171-04-0
    1 2D Structure

    CAS 26171-04-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-ethyl-2-(nitromethylidene)pyrrolidine
    2.1.2 InChI
    InChI=1S/C7H12N2O2/c1-2-8-5-3-4-7(8)6-9(10)11/h6H,2-5H2,1H3
    2.1.3 InChI Key
    MSXAUUYIGJZVTR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN1CCCC1=C[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 26171-04-0

    2. (2z)-1-ethyl-2-(nitromethylidene)pyrrolidine

    3. Schembl11665470

    4. 1-ethyl-2-nitromethylenepyrrolidine

    5. (e)-1-ethyl-2-(nitromethylene)pyrrolidine

    2.3 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 156.18 g/mol
    Molecular Formula C7H12N2O2
    XLogP31.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area49.1
    Heavy Atom Count11
    Formal Charge0
    Complexity183
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count1
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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