7-ethylindole-1-carboxylic acid

C11H11NO2 — CID 22338112

IUPAC7-ethylindole-1-carboxylic acid
SMILESCCc1cccc2ccn(C(=O)O)c12
InChIInChI=1S/C11H11NO2/c1-2-8-4-3-5-9-6-7-12(10(8)9)11(13)14/h3-7H,2H2,1H3,(H,13,14)
InChIKeyCGLDLSAVIASDLL-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.73
Rot. Bonds1

About 7-ethylindole-1-carboxylic acid

7-ethylindole-1-carboxylic acid (PubChem CID 22338112) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 7-ethylindole-1-carboxylic acid.

Molecular Properties

Compound Name7-ethylindole-1-carboxylic acid
PubChem CID22338112
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name7-ethylindole-1-carboxylic acid
SMILESCCc1cccc2ccn(C(=O)O)c12
InChIInChI=1S/C11H11NO2/c1-2-8-4-3-5-9-6-7-12(10(8)9)11(13)14/h3-7H,2H2,1H3,(H,13,14)
InChIKeyCGLDLSAVIASDLL-UHFFFAOYSA-N
XLogP2.73
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethylindole-1-carboxylic acid?
The IUPAC name of 7-ethylindole-1-carboxylic acid (CID 22338112) is 7-ethylindole-1-carboxylic acid.
What is the SMILES notation for 7-ethylindole-1-carboxylic acid?
The canonical SMILES for 7-ethylindole-1-carboxylic acid is CCc1cccc2ccn(C(=O)O)c12.
What is the InChIKey of 7-ethylindole-1-carboxylic acid?
The InChIKey is CGLDLSAVIASDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-8-4-3-5-9-6-7-12(10(8)9)11(13)14/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of 7-ethylindole-1-carboxylic acid?
7-ethylindole-1-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylindole-1-carboxylic acid is sourced from PubChem (CID 22338112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).