2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid

C10H11NO3 — CID 73190195

IUPAC2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid
SMILESO=C1C=C(C(=O)O)C2CCCCC2=N1
InChIInChI=1S/C10H11NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h5-6H,1-4H2,(H,13,14)
InChIKeyQIGDJBNCGVWWFF-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.17
Rot. Bonds1

About 2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid

2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid (PubChem CID 73190195) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid
PubChem CID73190195
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid
SMILESO=C1C=C(C(=O)O)C2CCCCC2=N1
InChIInChI=1S/C10H11NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h5-6H,1-4H2,(H,13,14)
InChIKeyQIGDJBNCGVWWFF-UHFFFAOYSA-N
XLogP1.17
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-4-methyliminocyclohexene-1-carboxylic acid
CID 123195069
8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
CID 74518925
2-Oxo-4a,5,6,7-tetrahydrocyclopenta[b]pyridine-4-carboxylic acid
CID 85448034

Frequently Asked Questions

What is the IUPAC name of 2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid?
The IUPAC name of 2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid (CID 73190195) is 2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid.
What is the SMILES notation for 2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid?
The canonical SMILES for 2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid is O=C1C=C(C(=O)O)C2CCCCC2=N1.
What is the InChIKey of 2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid?
The InChIKey is QIGDJBNCGVWWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h5-6H,1-4H2,(H,13,14).
What are the key properties of 2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid?
2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid is sourced from PubChem (CID 73190195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).