8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid

C9H9NO3 — CID 55269906

IUPAC8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid
SMILESO=C1CCC(C(=O)O)n2cccc21
InChIInChI=1S/C9H9NO3/c11-8-4-3-7(9(12)13)10-5-1-2-6(8)10/h1-2,5,7H,3-4H2,(H,12,13)
InChIKeyCCLDOPDLVDQINO-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.09
Rot. Bonds1

About 8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid

8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid (PubChem CID 55269906) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid.

Molecular Properties

Compound Name8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid
PubChem CID55269906
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid
SMILESO=C1CCC(C(=O)O)n2cccc21
InChIInChI=1S/C9H9NO3/c11-8-4-3-7(9(12)13)10-5-1-2-6(8)10/h1-2,5,7H,3-4H2,(H,12,13)
InChIKeyCCLDOPDLVDQINO-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid?
The IUPAC name of 8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid (CID 55269906) is 8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid.
What is the SMILES notation for 8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid?
The canonical SMILES for 8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid is O=C1CCC(C(=O)O)n2cccc21.
What is the InChIKey of 8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid?
The InChIKey is CCLDOPDLVDQINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8-4-3-7(9(12)13)10-5-1-2-6(8)10/h1-2,5,7H,3-4H2,(H,12,13).
What are the key properties of 8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid?
8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid has a molecular weight of 179.18 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid is sourced from PubChem (CID 55269906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).