CAS 139122-19-3

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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

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 Formula	C₁₀H₁₁NO₂
Molecular Weight	177.20 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	177.078978594 g/mol
Monoisotopic Mass	177.078978594 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	205
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