4CN-2889

Chemistry

Chemistry

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

4CN-2889

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 Formula	C₈H₇NO
Molecular Weight	133.15 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	133.052763847 g/mol
Monoisotopic Mass	133.052763847 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	155
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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

CAS 59-48-3 manufacturers and suppliers on PharmaCompass

4CN-2889

4CN-2889

Chemistry

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