CAS 16382-15-3

Chemistry

Chemistry

Also known as: 16382-15-3, Ethyl 5-methyl-1h-indole-2-carboxylate, 2-carbethoxy-5-methylindole, Mfcd00022703, 5-methyl-1h-indole-2-carboxylic acid ethyl ester, Nsc30928

Molecular Formula

C₁₂H₁₃NO₂

Molecular Weight

203.24 g/mol

InChI Key

KMVFKXFOPNKHEM-UHFFFAOYSA-N

1 2D Structure

CAS 16382-15-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 5-methyl-1H-indole-2-carboxylate

2.1.2 InChI

InChI=1S/C12H13NO2/c1-3-15-12(14)11-7-9-6-8(2)4-5-10(9)13-11/h4-7,13H,3H2,1-2H3

2.1.3 InChI Key

KMVFKXFOPNKHEM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 16382-15-3

2. Ethyl 5-methyl-1h-indole-2-carboxylate

3. 2-carbethoxy-5-methylindole

4. Mfcd00022703

5. 5-methyl-1h-indole-2-carboxylic Acid Ethyl Ester

6. Nsc30928

7. 5-methylindole-2-carboxylic Acid Ethyl Ester

8. Schembl85706

9. Mls000038492

10. 1h-indole-2-carboxylic Acid, 5-methyl-, Ethyl Ester

11. Chembl1518533

12. Dtxsid50283326

13. 5-methyl-2-(ethoxycarbonyl)indole

14. Hms2345f09

15. Zinc129029

16. Ethyl 5-methyl-2-indolecarboxylate

17. Bbl012856

18. Nsc-30928

19. Stk158196

20. Akos001476257

21. Cs-w015452

22. Pb41011

23. Ac-26884

24. Bp-12440

25. Ns-00008

26. Smr000034076

27. Sy040435

28. Ethyl 5-methylindole-2-carboxylate, 97%

29. Db-043571

30. Eu-0000203

31. Ft-0626132

32. M-4084

33. O10710

34. 382e153

35. Sr-01000389771

36. 5-methyl-1h-indole-2-carboxylic Acid, Ethyl Ester

37. Sr-01000389771-1

38. 5-methylindole-2-carboxylic Acid Ethyl Ester, Nsc 30928

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₃NO₂
Molecular Weight	203.24 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	203.094628657 g/mol
Monoisotopic Mass	203.094628657 g/mol
Topological Polar Surface Area	42.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	242
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

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