indolizine-3-carboxylic acid

C9H7NO2 — CID 14788255

IUPACindolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2ccccn12
InChIInChI=1S/C9H7NO2/c11-9(12)8-5-4-7-3-1-2-6-10(7)8/h1-6H,(H,11,12)
InChIKeyLKLKDFKQBJWONS-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.64
Rot. Bonds1

About indolizine-3-carboxylic acid

indolizine-3-carboxylic acid (PubChem CID 14788255) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is indolizine-3-carboxylic acid.

Molecular Properties

Compound Nameindolizine-3-carboxylic acid
PubChem CID14788255
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Nameindolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2ccccn12
InChIInChI=1S/C9H7NO2/c11-9(12)8-5-4-7-3-1-2-6-10(7)8/h1-6H,(H,11,12)
InChIKeyLKLKDFKQBJWONS-UHFFFAOYSA-N
XLogP1.64
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze indolizine-3-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 indolizine-3-carboxylic acid?
The IUPAC name of indolizine-3-carboxylic acid (CID 14788255) is indolizine-3-carboxylic acid.
What is the SMILES notation for indolizine-3-carboxylic acid?
The canonical SMILES for indolizine-3-carboxylic acid is O=C(O)c1ccc2ccccn12.
What is the InChIKey of indolizine-3-carboxylic acid?
The InChIKey is LKLKDFKQBJWONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-9(12)8-5-4-7-3-1-2-6-10(7)8/h1-6H,(H,11,12).
What are the key properties of indolizine-3-carboxylic acid?
indolizine-3-carboxylic acid has a molecular weight of 161.16 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for indolizine-3-carboxylic acid is sourced from PubChem (CID 14788255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).