5-ethyl-2-methyl-1H-indole-7-carboxylic acid

C12H13NO2 — CID 83964802

IUPAC5-ethyl-2-methyl-1H-indole-7-carboxylic acid
SMILESCCc1cc(C(=O)O)c2[nH]c(C)cc2c1
InChIInChI=1S/C12H13NO2/c1-3-8-5-9-4-7(2)13-11(9)10(6-8)12(14)15/h4-6,13H,3H2,1-2H3,(H,14,15)
InChIKeyJAZKDSPFLRPSDH-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.74
Rot. Bonds2

About 5-ethyl-2-methyl-1H-indole-7-carboxylic acid

5-ethyl-2-methyl-1H-indole-7-carboxylic acid (PubChem CID 83964802) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-methyl-1H-indole-7-carboxylic acid
PubChem CID83964802
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-ethyl-2-methyl-1H-indole-7-carboxylic acid
SMILESCCc1cc(C(=O)O)c2[nH]c(C)cc2c1
InChIInChI=1S/C12H13NO2/c1-3-8-5-9-4-7(2)13-11(9)10(6-8)12(14)15/h4-6,13H,3H2,1-2H3,(H,14,15)
InChIKeyJAZKDSPFLRPSDH-UHFFFAOYSA-N
XLogP2.74
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-diethylnaphthalene-1,8-dicarboxylic acid
CID 70141168
5-ethyl-3-propyl-1H-indole-7-carboxylic acid
CID 83946544
7-chloro-2-methyl-1H-indole-5-carboxylic acid
CID 70229243
3,5-diethylphthalic acid;2,4,6-trimethylpyridine
CID 174757082
3-bromo-5-ethyl-2-methoxybenzoic acid
CID 50882139
3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid
CID 83946549
2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one
CID 126675965
5-ethyl-1-propylindole-7-carboxylic acid
CID 83946152
2-acetyloxy-3-bromo-5-ethylbenzoic acid
CID 50883031
5-ethyl-1,3-dimethylindole-7-carboxylic acid
CID 83946143
5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid
CID 84664446
2-methyl-1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid
CID 82410975

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-1H-indole-7-carboxylic acid?
The IUPAC name of 5-ethyl-2-methyl-1H-indole-7-carboxylic acid (CID 83964802) is 5-ethyl-2-methyl-1H-indole-7-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-methyl-1H-indole-7-carboxylic acid?
The canonical SMILES for 5-ethyl-2-methyl-1H-indole-7-carboxylic acid is CCc1cc(C(=O)O)c2[nH]c(C)cc2c1.
What is the InChIKey of 5-ethyl-2-methyl-1H-indole-7-carboxylic acid?
The InChIKey is JAZKDSPFLRPSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-8-5-9-4-7(2)13-11(9)10(6-8)12(14)15/h4-6,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-ethyl-2-methyl-1H-indole-7-carboxylic acid?
5-ethyl-2-methyl-1H-indole-7-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-1H-indole-7-carboxylic acid is sourced from PubChem (CID 83964802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).