5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid

C9H9NO3 — CID 76637873

IUPAC5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESO=C(O)C1CCc2cccc(=O)n21
InChIInChI=1S/C9H9NO3/c11-8-3-1-2-6-4-5-7(9(12)13)10(6)8/h1-3,7H,4-5H2,(H,12,13)
InChIKeyNVNDBUIYEOKTDY-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.42
Rot. Bonds1

About 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid

5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (PubChem CID 76637873) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
PubChem CID76637873
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESO=C(O)C1CCc2cccc(=O)n21
InChIInChI=1S/C9H9NO3/c11-8-3-1-2-6-4-5-7(9(12)13)10(6)8/h1-3,7H,4-5H2,(H,12,13)
InChIKeyNVNDBUIYEOKTDY-UHFFFAOYSA-N
XLogP0.42
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-oxo-2,3-dihydro-1H-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 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The IUPAC name of 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (CID 76637873) is 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The canonical SMILES for 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is O=C(O)C1CCc2cccc(=O)n21.
What is the InChIKey of 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The InChIKey is NVNDBUIYEOKTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8-3-1-2-6-4-5-7(9(12)13)10(6)8/h1-3,7H,4-5H2,(H,12,13).
What are the key properties of 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid has a molecular weight of 179.18 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is sourced from PubChem (CID 76637873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).