1-ethyl-5-methylindole-7-carboxylic acid

C12H13NO2 — CID 83946023

IUPAC1-ethyl-5-methylindole-7-carboxylic acid
SMILESCCn1ccc2cc(C)cc(C(=O)O)c21
InChIInChI=1S/C12H13NO2/c1-3-13-5-4-9-6-8(2)7-10(11(9)13)12(14)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyOIIZHURZVMSZMB-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.67
Rot. Bonds2

About 1-ethyl-5-methylindole-7-carboxylic acid

1-ethyl-5-methylindole-7-carboxylic acid (PubChem CID 83946023) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-ethyl-5-methylindole-7-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-methylindole-7-carboxylic acid
PubChem CID83946023
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-ethyl-5-methylindole-7-carboxylic acid
SMILESCCn1ccc2cc(C)cc(C(=O)O)c21
InChIInChI=1S/C12H13NO2/c1-3-13-5-4-9-6-8(2)7-10(11(9)13)12(14)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyOIIZHURZVMSZMB-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dimethylindole-7-carboxylic acid
CID 83946044
5-ethyl-1-propylindole-7-carboxylic acid
CID 83946152
1,3-diethyl-5-methylindole-7-carboxylic acid
CID 83946021
1-ethyl-6-fluoroindole-4-carboxylic acid
CID 175074591
3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid
CID 83946029
1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid
CID 174792503
1-(2-ethylbutyl)indole-7-carboxylic acid
CID 82928947
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
3-(1-ethylindol-7-yl)-2-methylpropanoic acid
CID 115106604
1-ethyl-3-formyl-2,5-dimethylindole-7-carboxylic acid
CID 83947250
1,3,5-triethylindole-7-carboxylic acid
CID 83946119
1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid
CID 84755886

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methylindole-7-carboxylic acid?
The IUPAC name of 1-ethyl-5-methylindole-7-carboxylic acid (CID 83946023) is 1-ethyl-5-methylindole-7-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-methylindole-7-carboxylic acid?
The canonical SMILES for 1-ethyl-5-methylindole-7-carboxylic acid is CCn1ccc2cc(C)cc(C(=O)O)c21.
What is the InChIKey of 1-ethyl-5-methylindole-7-carboxylic acid?
The InChIKey is OIIZHURZVMSZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-13-5-4-9-6-8(2)7-10(11(9)13)12(14)15/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 1-ethyl-5-methylindole-7-carboxylic acid?
1-ethyl-5-methylindole-7-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methylindole-7-carboxylic acid is sourced from PubChem (CID 83946023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).