7-ethyl-1-methylindole-2-carboxylic acid

C12H13NO2 — CID 131582394

IUPAC7-ethyl-1-methylindole-2-carboxylic acid
SMILESCCc1cccc2cc(C(=O)O)n(C)c12
InChIInChI=1S/C12H13NO2/c1-3-8-5-4-6-9-7-10(12(14)15)13(2)11(8)9/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyLRTQGFQHLNDRRA-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.44
Rot. Bonds2

About 7-ethyl-1-methylindole-2-carboxylic acid

7-ethyl-1-methylindole-2-carboxylic acid (PubChem CID 131582394) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7-ethyl-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-1-methylindole-2-carboxylic acid
PubChem CID131582394
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7-ethyl-1-methylindole-2-carboxylic acid
SMILESCCc1cccc2cc(C(=O)O)n(C)c12
InChIInChI=1S/C12H13NO2/c1-3-8-5-4-6-9-7-10(12(14)15)13(2)11(8)9/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyLRTQGFQHLNDRRA-UHFFFAOYSA-N
XLogP2.44
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-ethyl-1-methylindol-2-yl)acetic acid
CID 83859943
1-methyl-7-[(4-propanoylpiperazin-1-yl)methyl]indole-2-carboxylic acid
CID 68535416
1-methyl-7-phenylindole-2-carboxylic acid
CID 171663138
1-methyl-7-(2-phenylethylamino)indole-2-carboxylic acid
CID 174277455
7-chloro-1-propylindole-2-carboxylic acid
CID 83968460
1-ethyl-7-propan-2-ylindole-2-carboxylic acid
CID 105489529
1-methyl-7-[4-(trifluoromethyl)phenyl]indole-2-carboxylic acid
CID 171663174
7-ethylindole-1-carboxylic acid
CID 22338112
7-ethyl-1,2-dimethylindole-3-carboxylic acid
CID 82493307
7-chloro-N,N-diethyl-1-methylindole-2-carboxamide
CID 110855125
2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid
CID 110835889
ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 110853989

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-methylindole-2-carboxylic acid?
The IUPAC name of 7-ethyl-1-methylindole-2-carboxylic acid (CID 131582394) is 7-ethyl-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 7-ethyl-1-methylindole-2-carboxylic acid?
The canonical SMILES for 7-ethyl-1-methylindole-2-carboxylic acid is CCc1cccc2cc(C(=O)O)n(C)c12.
What is the InChIKey of 7-ethyl-1-methylindole-2-carboxylic acid?
The InChIKey is LRTQGFQHLNDRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-8-5-4-6-9-7-10(12(14)15)13(2)11(8)9/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 7-ethyl-1-methylindole-2-carboxylic acid?
7-ethyl-1-methylindole-2-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 131582394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).