2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid

C9H9NO3 — CID 6484274

IUPAC2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C9H9NO3/c11-8-6(9(12)13)4-5-2-1-3-7(5)10-8/h4H,1-3H2,(H,10,11)(H,12,13)
InChIKeyGOBCNYSBQFAPOI-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.56
Rot. Bonds1

About 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid

2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 6484274) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid
PubChem CID6484274
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C9H9NO3/c11-8-6(9(12)13)4-5-2-1-3-7(5)10-8/h4H,1-3H2,(H,10,11)(H,12,13)
InChIKeyGOBCNYSBQFAPOI-UHFFFAOYSA-N
XLogP0.56
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CID 647149
5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 3152509
4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 247444
2,5-Dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CID 13535385
2-Oxo-6-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid
CID 13543670
2-oxo-1H,2H,5H,6H,7H,8H,9H-cyclohepta(b)pyridine-3-carboxylic acid
CID 6484266
6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 13543671
U 56324
CID 156354
6-(2-Methylpropyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 223263
6-(2,2-dimethylbutyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 13020239
5-Acetyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 13232040
6-(3-methylbutyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 13543673

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid (CID 6484274) is 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid is O=C(O)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is GOBCNYSBQFAPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8-6(9(12)13)4-5-2-1-3-7(5)10-8/h4H,1-3H2,(H,10,11)(H,12,13).
What are the key properties of 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid?
2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 179.17 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 6484274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).