2-oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid

C9H9NO3 — CID 85448034

IUPAC2-oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid
SMILESO=C1C=C(C(=O)O)C2CCCC2=N1
InChIInChI=1S/C9H9NO3/c11-8-4-6(9(12)13)5-2-1-3-7(5)10-8/h4-5H,1-3H2,(H,12,13)
InChIKeyRIKIPUIOPUPPCB-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.78
Rot. Bonds1

About 2-oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid

2-oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 85448034) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid
PubChem CID85448034
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid
SMILESO=C1C=C(C(=O)O)C2CCCC2=N1
InChIInChI=1S/C9H9NO3/c11-8-4-6(9(12)13)5-2-1-3-7(5)10-8/h4-5H,1-3H2,(H,12,13)
InChIKeyRIKIPUIOPUPPCB-UHFFFAOYSA-N
XLogP0.78
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid (CID 85448034) is 2-oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid is O=C1C=C(C(=O)O)C2CCCC2=N1.
What is the InChIKey of 2-oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is RIKIPUIOPUPPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8-4-6(9(12)13)5-2-1-3-7(5)10-8/h4-5H,1-3H2,(H,12,13).
What are the key properties of 2-oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid?
2-oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 179.17 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 85448034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).