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Also known as: 139122-19-3, 4-(2-hydroxyethyl)oxyindole, 1,3-dihydro-4-(2-hydroxyethyl)-2h-indole-2-one, 4-(2-hydroxyethyl)-1,3-dihydroindol-2-one, 4-(2-hydroxyethyl)-1,3-dihydro-2h-indolin-2-one, 1,3-dihydro-4-(2-hydroxyethyl)-2h-indol-2-one
Molecular Formula
C10H11NO2
Molecular Weight
177.20  g/mol
InChI Key
QRTHVOUKWCEPKJ-UHFFFAOYSA-N
FDA UNII
6YTE425882

CAS 139122-19-3
1 2D Structure

CAS 139122-19-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(2-hydroxyethyl)-1,3-dihydroindol-2-one
2.1.2 InChI
InChI=1S/C10H11NO2/c12-5-4-7-2-1-3-9-8(7)6-10(13)11-9/h1-3,12H,4-6H2,(H,11,13)
2.1.3 InChI Key
QRTHVOUKWCEPKJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C2=C(C=CC=C2NC1=O)CCO
2.2 Other Identifiers
2.2.1 UNII
6YTE425882
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 139122-19-3

2. 4-(2-hydroxyethyl)oxyindole

3. 1,3-dihydro-4-(2-hydroxyethyl)-2h-indole-2-one

4. 4-(2-hydroxyethyl)-1,3-dihydroindol-2-one

5. 4-(2-hydroxyethyl)-1,3-dihydro-2h-indolin-2-one

6. 1,3-dihydro-4-(2-hydroxyethyl)-2h-indol-2-one

7. 2h-indol-2-one, 1,3-dihydro-4-(2-hydroxyethyl)-

8. 4-(2-hydroxyethyl) Oxyindole

9. 6yte425882

10. Unii-6yte425882

11. 4-hydroxyethyl-2-oxindole

12. 4-(2-hydroxyethyl)oxindole

13. 4-(2-hydroxyethyl)-oxindole

14. Schembl154311

15. 4-(2-hydroxyethyl)-2-indolinone

16. Dtxsid401251686

17. 4-(2-hydroxyethyl)indoline-2-one

18. Act02510

19. Bcp09802

20. Ac-499

21. Mfcd07782133

22. Zinc22000127

23. Akos005258766

24. Sb66161

25. As-12995

26. Db-001172

27. Cs-0149735

28. Ft-0647421

29. H1497

30. J3.514.493e

31. C72555

32. 4-(2-hydroxy-ethyl)-1,3-dihydro-indol-2-one

33. 122h193

34. J-503904

35. Q27265735

36. Ropinirole Hydrochloride Impurity F [ep Impurity]

37. 4-(2-hydroxyethyl)-1,3-dihydro-2h-indol-2-one

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 177.20 g/mol
Molecular Formula C10H11NO2
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass177.078978594 g/mol
Monoisotopic Mass177.078978594 g/mol
Topological Polar Surface Area49.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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