3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carboxylic acid

C9H9NO3 — CID 82600001

IUPAC3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carboxylic acid
SMILESO=C(O)c1c2c(c[nH]c1=O)CCC2
InChIInChI=1S/C9H9NO3/c11-8-7(9(12)13)6-3-1-2-5(6)4-10-8/h4H,1-3H2,(H,10,11)(H,12,13)
InChIKeyQVUMPFIWKWKREK-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.56
Rot. Bonds1

About 3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carboxylic acid

3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carboxylic acid (PubChem CID 82600001) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carboxylic acid
PubChem CID82600001
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carboxylic acid
SMILESO=C(O)c1c2c(c[nH]c1=O)CCC2
InChIInChI=1S/C9H9NO3/c11-8-7(9(12)13)6-3-1-2-5(6)4-10-8/h4H,1-3H2,(H,10,11)(H,12,13)
InChIKeyQVUMPFIWKWKREK-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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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carboxylic acid?
The IUPAC name of 3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carboxylic acid (CID 82600001) is 3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carboxylic acid?
The canonical SMILES for 3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carboxylic acid is O=C(O)c1c2c(c[nH]c1=O)CCC2.
What is the InChIKey of 3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carboxylic acid?
The InChIKey is QVUMPFIWKWKREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8-7(9(12)13)6-3-1-2-5(6)4-10-8/h4H,1-3H2,(H,10,11)(H,12,13).
What are the key properties of 3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carboxylic acid?
3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-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 3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carboxylic acid is sourced from PubChem (CID 82600001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).