1-cyclobutylindole-5-carboxylic acid

C13H13NO2 — CID 115115226

IUPAC1-cyclobutylindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2C2CCC2)c1
InChIInChI=1S/C13H13NO2/c15-13(16)10-4-5-12-9(8-10)6-7-14(12)11-2-1-3-11/h4-8,11H,1-3H2,(H,15,16)
InChIKeyWAHIIKFCTHZBOM-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.06
Rot. Bonds2

About 1-cyclobutylindole-5-carboxylic acid

1-cyclobutylindole-5-carboxylic acid (PubChem CID 115115226) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-cyclobutylindole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclobutylindole-5-carboxylic acid
PubChem CID115115226
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-cyclobutylindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2C2CCC2)c1
InChIInChI=1S/C13H13NO2/c15-13(16)10-4-5-12-9(8-10)6-7-14(12)11-2-1-3-11/h4-8,11H,1-3H2,(H,15,16)
InChIKeyWAHIIKFCTHZBOM-UHFFFAOYSA-N
XLogP3.06
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclobutylindole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylindole-5-carboxylic acid?
The IUPAC name of 1-cyclobutylindole-5-carboxylic acid (CID 115115226) is 1-cyclobutylindole-5-carboxylic acid.
What is the SMILES notation for 1-cyclobutylindole-5-carboxylic acid?
The canonical SMILES for 1-cyclobutylindole-5-carboxylic acid is O=C(O)c1ccc2c(ccn2C2CCC2)c1.
What is the InChIKey of 1-cyclobutylindole-5-carboxylic acid?
The InChIKey is WAHIIKFCTHZBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-13(16)10-4-5-12-9(8-10)6-7-14(12)11-2-1-3-11/h4-8,11H,1-3H2,(H,15,16).
What are the key properties of 1-cyclobutylindole-5-carboxylic acid?
1-cyclobutylindole-5-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylindole-5-carboxylic acid is sourced from PubChem (CID 115115226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).