5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid

C9H9NO3 — CID 83482177

IUPAC5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
SMILESO=C(O)c1ccc(=O)n2c1CCC2
InChIInChI=1S/C9H9NO3/c11-8-4-3-6(9(12)13)7-2-1-5-10(7)8/h3-4H,1-2,5H2,(H,12,13)
InChIKeyCWEVPKZNWXMASF-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.49
Rot. Bonds1

About 5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid

5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid (PubChem CID 83482177) 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-8-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
PubChem CID83482177
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
SMILESO=C(O)c1ccc(=O)n2c1CCC2
InChIInChI=1S/C9H9NO3/c11-8-4-3-6(9(12)13)7-2-1-5-10(7)8/h3-4H,1-2,5H2,(H,12,13)
InChIKeyCWEVPKZNWXMASF-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The IUPAC name of 5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid (CID 83482177) is 5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid.
What is the SMILES notation for 5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The canonical SMILES for 5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid is O=C(O)c1ccc(=O)n2c1CCC2.
What is the InChIKey of 5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The InChIKey is CWEVPKZNWXMASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8-4-3-6(9(12)13)7-2-1-5-10(7)8/h3-4H,1-2,5H2,(H,12,13).
What are the key properties of 5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid has a molecular weight of 179.18 g/mol, XLogP of 0.49, 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-8-carboxylic acid is sourced from PubChem (CID 83482177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).