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2D Structure
Also known as: 2,5-dimethylindole, 1196-79-8, 1h-indole, 2,5-dimethyl-, Indole, 2,5-dimethyl-, 2,5-dimethyl indole, Etu94v283m
Molecular Formula
C10H11N
Molecular Weight
145.20  g/mol
InChI Key
ZFLFWZRPMDXJCW-UHFFFAOYSA-N
FDA UNII
ETU94V283M

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,5-dimethyl-1H-indole
2.1.2 InChI
InChI=1S/C10H11N/c1-7-3-4-10-9(5-7)6-8(2)11-10/h3-6,11H,1-2H3
2.1.3 InChI Key
ZFLFWZRPMDXJCW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC2=C(C=C1)NC(=C2)C
2.2 Other Identifiers
2.2.1 UNII
ETU94V283M
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2,5-dimethylindole

2. 1196-79-8

3. 1h-indole, 2,5-dimethyl-

4. Indole, 2,5-dimethyl-

5. 2,5-dimethyl Indole

6. Etu94v283m

7. 2,5-dimethylindole,97%

8. Unii-etu94v283m

9. Einecs 214-816-1

10. Schembl75581

11. 2,5-dimethylindole, 97%

12. 2,5-dimethyl-1h-indole #

13. Bidd:gt0299

14. Dtxsid30152521

15. Act05059

16. Albb-007737

17. Zinc1494938

18. Mfcd00005621

19. Stk502087

20. Akos005171720

21. Cs-w007733

22. Ps-5403

23. Sb14998

24. Ac-24550

25. Db-020113

26. Am20060924

27. D3698

28. Ft-0630020

29. 196d798

30. J-507367

31. Q27277366

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 145.20 g/mol
Molecular Formula C10H11N
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass145.089149355 g/mol
Monoisotopic Mass145.089149355 g/mol
Topological Polar Surface Area15.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1