5-ethyl-1-methylindole-3-carboxylic acid

C12H13NO2 — CID 82278766

IUPAC5-ethyl-1-methylindole-3-carboxylic acid
SMILESCCc1ccc2c(c1)c(C(=O)O)cn2C
InChIInChI=1S/C12H13NO2/c1-3-8-4-5-11-9(6-8)10(12(14)15)7-13(11)2/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyOOZCFXMBYADDCB-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.44
Rot. Bonds2

About 5-ethyl-1-methylindole-3-carboxylic acid

5-ethyl-1-methylindole-3-carboxylic acid (PubChem CID 82278766) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-ethyl-1-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-methylindole-3-carboxylic acid
PubChem CID82278766
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-ethyl-1-methylindole-3-carboxylic acid
SMILESCCc1ccc2c(c1)c(C(=O)O)cn2C
InChIInChI=1S/C12H13NO2/c1-3-8-4-5-11-9(6-8)10(12(14)15)7-13(11)2/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyOOZCFXMBYADDCB-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

1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one
CID 82278783
(5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone
CID 95432972
5-tert-butyl-1-methylindole-3-carboxylic acid
CID 82278768
3-(5-ethyl-1-methylindol-3-yl)butanoic acid
CID 82278686
5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid
CID 663444
5-ethyl-3-fluoro-1-methylindole;propane
CID 176701533
(5-ethyl-1-methylindol-3-yl)methanamine
CID 82490826
1-methyl-5-(4-methylsulfonylphenyl)indole-3-carboxylic acid
CID 172654724
3-(5-ethyl-1-methylindol-3-yl)propan-1-ol
CID 82278629
2-bromo-6-ethylquinoline-4-carboxylic acid
CID 82184197
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
5-ethyl-1,3-dimethylindole-7-carboxylic acid
CID 83946143

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methylindole-3-carboxylic acid?
The IUPAC name of 5-ethyl-1-methylindole-3-carboxylic acid (CID 82278766) is 5-ethyl-1-methylindole-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-methylindole-3-carboxylic acid?
The canonical SMILES for 5-ethyl-1-methylindole-3-carboxylic acid is CCc1ccc2c(c1)c(C(=O)O)cn2C.
What is the InChIKey of 5-ethyl-1-methylindole-3-carboxylic acid?
The InChIKey is OOZCFXMBYADDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-8-4-5-11-9(6-8)10(12(14)15)7-13(11)2/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-ethyl-1-methylindole-3-carboxylic acid?
5-ethyl-1-methylindole-3-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 5-ethyl-1-methylindole-3-carboxylic acid is sourced from PubChem (CID 82278766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).