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2D Structure
Also known as: 13754-86-4, 6,7-dihydro-1h-indol-4(5h)-one, 1,5,6,7-tetrahydroindol-4-one, 4h-indol-4-one, 1,5,6,7-tetrahydro-, 4-oxo-4,5,6,7-tetrahydroindole, 4,5,6,7-tetrahydro-1h-indol-4-one
Molecular Formula
C8H9NO
Molecular Weight
135.16  g/mol
InChI Key
KASJZXHXXNEULX-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,5,6,7-tetrahydroindol-4-one
2.1.2 InChI
InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2
2.1.3 InChI Key
KASJZXHXXNEULX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC2=C(C=CN2)C(=O)C1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 13754-86-4

2. 6,7-dihydro-1h-indol-4(5h)-one

3. 1,5,6,7-tetrahydroindol-4-one

4. 4h-indol-4-one, 1,5,6,7-tetrahydro-

5. 4-oxo-4,5,6,7-tetrahydroindole

6. 4,5,6,7-tetrahydro-1h-indol-4-one

7. Mfcd00075438

8. 1,5,6,7-tetrahydro-indol-4-one

9. 1,5,6,7-tetrahydro-4-indolone

10. 6,7-dihydroindol-4(5h)-one

11. Nsc131681

12. Pyrrolo[b]cyclohexanone

13. Schembl689700

14. 1,5,6,7-tetrahyroindol-4-one

15. Dtxsid40299633

16. 1,5,6,7-tetrahyro-indol-4-one

17. Bcp05724

18. 4-keto-4,5,6,7-tetrahydro Indole

19. Bbl010663

20. Stk801681

21. Akos000505931

22. Ab02874

23. Nsc 131681

24. Nsc-131681

25. 1,5,6,7-tetrahydro-4h-indole-4-one

26. 4h-indol-4-one,1,5,6,7-tetrahydro-

27. Am803187

28. Sy027852

29. 1,5,6,7-tetrahydro-4h-indol-4-one #

30. 4,5,6,7-tetrahydro-4-oxoindole

31. 1,5,6,7-tetrahydro-4h-indol-4-one (en)

32. Cs-0038145

33. Ns00122757

34. T1435

35. En300-91733

36. 1,5,6,7-tetrahydro-4h-indol-4-one, 98%

37. 8p-059

38. A855917

39. Ae-641/02486014

40. J-007037

41. Z905041600

42. Inchi=1/c8h9no/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9h,1-3h

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 135.16 g/mol
Molecular Formula C8H9NO
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area32.9
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