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    CAS 766-36-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 766-36-9, 3-ethyl-4-methyl-3-pyrroline-2-one, 3-ethyl-4-methyl-2,5-dihydro-1h-pyrrol-2-one, 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one, 2h-pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl-, 3-ethyl-4-methyl-1h-pyrrol-2(5h)-one
    Molecular Formula
    C7H11NO
    Molecular Weight
    125.17  g/mol
    InChI Key
    YCTNTSVMJWIYTQ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-ethyl-3-methyl-1,2-dihydropyrrol-5-one
    2.1.2 InChI
    InChI=1S/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h3-4H2,1-2H3,(H,8,9)
    2.1.3 InChI Key
    YCTNTSVMJWIYTQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC1=C(CNC1=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 766-36-9

    2. 3-ethyl-4-methyl-3-pyrroline-2-one

    3. 3-ethyl-4-methyl-2,5-dihydro-1h-pyrrol-2-one

    4. 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one

    5. 2h-pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl-

    6. 3-ethyl-4-methyl-1h-pyrrol-2(5h)-one

    7. 1,5-dihydro-3-ethyl-4-methyl-2h-pyrrol-2-one

    8. Mfcd00173861

    9. 3-ethyl-4-methyl-2-oxopyrroline

    10. Ec 616-364-4

    11. Schembl1430224

    12. Yctntsvmjwiytq-uhfffaoysa-

    13. 3-ethyl-4-methylpyrroline-2-one

    14. Dtxsid70357558

    15. Zinc404205

    16. Bcp28365

    17. Akos006223717

    18. Ab04375

    19. Am62801

    20. Cs-w002472

    21. Ac-23984

    22. As-12826

    23. Sy032675

    24. Db-006425

    25. 3-ethyl-4-methyl-3-pyrrolin-2-one, 97%

    26. A9711

    27. E0964

    28. Ft-0600899

    29. Ft-0667991

    30. 766e369

    31. 3-ethyl-4-methyl-2,5-dihydro-1h-pyrroline-2-one

    32. J-512425

    33. 3-ethyl-1,5-dihydro-4-methyl-2h-pyrrol-2-one;

    2.3 Create Date
    2005-07-09
    3 Chemical and Physical Properties
    Molecular Weight 125.17 g/mol
    Molecular Formula C7H11NO
    XLogP30.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass125.084063974 g/mol
    Monoisotopic Mass125.084063974 g/mol
    Topological Polar Surface Area29.1 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity170
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1