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    CAS 59-48-3

    PharmaCompass
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    2D Structure
    Also known as: 59-48-3, Indolin-2-one, 2-oxindole, 2-indolinone, 1,3-dihydro-2h-indol-2-one, 1,3-dihydroindol-2-one
    Molecular Formula
    C8H7NO
    Molecular Weight
    133.15  g/mol
    InChI Key
    JYGFTBXVXVMTGB-UHFFFAOYSA-N
    FDA UNII
    0S9338U62H
    oxindole is a natural product found in Penicillium with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,3-dihydroindol-2-one
    2.1.2 InChI
    InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
    2.1.3 InChI Key
    JYGFTBXVXVMTGB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C2=CC=CC=C2NC1=O
    2.2 Other Identifiers
    2.2.1 UNII
    0S9338U62H
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,3-dihydro-2h-indol-2-one

    2. 1,3-dihydroindol-2-one

    3. 1h-indol-2-ol

    4. 2-hydroxyindole

    5. 2-indolinone

    6. 2-oxindole

    7. 2-oxindole Perchlorate

    8. 2h-indol-2-one, 1,3-dihydro-

    9. Diclofenac Impurity E

    10. Indol-2(3h)-one

    11. Indol-2-ol

    12. Indoline-2-one

    2.3.2 Depositor-Supplied Synonyms

    1. 59-48-3

    2. Indolin-2-one

    3. 2-oxindole

    4. 2-indolinone

    5. 1,3-dihydro-2h-indol-2-one

    6. 1,3-dihydroindol-2-one

    7. Oxindol

    8. Indol-2(3h)-one

    9. 2h-indol-2-one, 1,3-dihydro-

    10. 2-oxoindoline

    11. 2-oxindoline

    12. Indoline-2-one

    13. Diclofenac Impurity E

    14. 2-oxoindole

    15. 1,3-dihydro-indol-2-one

    16. Mfcd00005711

    17. 2,3-dihydro-1h-indol-2-one

    18. Nsc 274863

    19. Chebi:31697

    20. 0s9338u62h

    21. Nsc-274863

    22. 1,3-dihydro-indol-2-one-d4

    23. 2,3-dihydroindol-2-one

    24. Indol-2-ol

    25. 2oxindole

    26. 2-ketoindoline

    27. Unii-0s9338u62h

    28. Indolin 2-one

    29. Einecs 200-429-5

    30. Indolinone

    31. Indolin-2(1h)-one

    32. 2(1h,3h)indolone

    33. Brn 0114692

    34. 2-oxindole, 97%

    35. Oxindole (2-indolone)

    36. 2(1h,3h)-indolone

    37. 2,3-dihydroindole-2-one

    38. Schembl19504

    39. 5-21-08-00007 (beilstein Handbook Reference)

    40. Chembl40823

    41. 1,3-dihydro-2h-indol-2-on

    42. Schembl4096312

    43. Schembl4787144

    44. Schembl4787148

    45. Schembl9305641

    46. Dtxsid80870389

    47. Hms1647d16

    48. 1,3-dihydro-(2h)-indol-2-one

    49. 1,3-dihydro-2h-indol-2-one #

    50. O-(aminophenyl)-acetic Acid Lactam

    51. Act06984

    52. Bcp21784

    53. Cs-m2997

    54. Hy-y0061

    55. Str01316

    56. Zinc2020050

    57. Ab7349

    58. Bdbm50434120

    59. Cx1001

    60. Mfcd12031225

    61. Nsc274863

    62. S4861

    63. Stk336410

    64. Akos000119409

    65. Ab00523

    66. Ac-3269

    67. Ccg-266121

    68. Cg-0513

    69. 2-oxindole Pound>>diclofenac Impurity E

    70. Am807053

    71. Bp-12514

    72. Sy004718

    73. 2-oxindole, Purum, >=97.0% (hplc)

    74. Db-011627

    75. Bb 0257524

    76. Ft-0631265

    77. O0272

    78. En300-20422

    79. A24270

    80. 005o711

    81. Ah-034/32845032

    82. Diclofenac Sodium Impurity E [ep Impurity]

    83. J-400304

    84. Q2018788

    85. Diclofenac Potassium Impurity E [ep Impurity]

    86. Diclofenac Potassium Impurity I [ep Impurity]

    87. F0918-7910

    88. Z1245635865

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 133.15 g/mol
    Molecular Formula C8H7NO
    XLogP31.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass133.052763847 g/mol
    Monoisotopic Mass133.052763847 g/mol
    Topological Polar Surface Area29.1 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity155
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Metabolism/Metabolites

    Oxindole is a known human metabolite of indole.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560