2-(2-oxoquinolin-3-ylidene)acetic acid

C11H7NO3 — CID 141001940

IUPAC2-(2-oxoquinolin-3-ylidene)acetic acid
SMILESO=C(O)C=C1C=c2ccccc2=NC1=O
InChIInChI=1S/C11H7NO3/c13-10(14)6-8-5-7-3-1-2-4-9(7)12-11(8)15/h1-6H,(H,13,14)
InChIKeyIVGKXGQWBOEFGX-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.36
Rot. Bonds1

About 2-(2-oxoquinolin-3-ylidene)acetic acid

2-(2-oxoquinolin-3-ylidene)acetic acid (PubChem CID 141001940) has the molecular formula C11H7NO3 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-(2-oxoquinolin-3-ylidene)acetic acid.

Molecular Properties

Compound Name2-(2-oxoquinolin-3-ylidene)acetic acid
PubChem CID141001940
Molecular FormulaC11H7NO3
Molecular Weight201.18 g/mol
Exact Mass201.04
IUPAC Name2-(2-oxoquinolin-3-ylidene)acetic acid
SMILESO=C(O)C=C1C=c2ccccc2=NC1=O
InChIInChI=1S/C11H7NO3/c13-10(14)6-8-5-7-3-1-2-4-9(7)12-11(8)15/h1-6H,(H,13,14)
InChIKeyIVGKXGQWBOEFGX-UHFFFAOYSA-N
XLogP-0.36
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-oxo-6aH-phenanthridine-3-carboxylic acid
CID 118009871
5-Carboxyindole-2-one
CID 46739852
7-fluoro-2-oxo-4aH-quinoline-3-carboxylic acid
CID 73978563
Quinoline-4-carboxylic acid, 2,3-dihydro-2-oxo-
CID 604972
6-hydroxy-3H-quinolin-2-one
CID 70105236
(E)-3-(2-oxo-8H-quinolin-3-yl)prop-2-enoic acid
CID 88210007
7-hydroxy-3H-quinolin-2-one
CID 141607935
7-Hydroxyquinoline-2,3-dione
CID 141733307
2-oxo-3H-quinoline-7-carboxylic acid
CID 152026221
2-Oxoindole-6-carboxylic acid
CID 153930756
(Z)-but-2-enedioic acid;3H-quinolin-2-one
CID 162307464
(E)-but-2-enedioic acid;indol-2-one
CID 172830994

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoquinolin-3-ylidene)acetic acid?
The IUPAC name of 2-(2-oxoquinolin-3-ylidene)acetic acid (CID 141001940) is 2-(2-oxoquinolin-3-ylidene)acetic acid.
What is the SMILES notation for 2-(2-oxoquinolin-3-ylidene)acetic acid?
The canonical SMILES for 2-(2-oxoquinolin-3-ylidene)acetic acid is O=C(O)C=C1C=c2ccccc2=NC1=O.
What is the InChIKey of 2-(2-oxoquinolin-3-ylidene)acetic acid?
The InChIKey is IVGKXGQWBOEFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3/c13-10(14)6-8-5-7-3-1-2-4-9(7)12-11(8)15/h1-6H,(H,13,14).
What are the key properties of 2-(2-oxoquinolin-3-ylidene)acetic acid?
2-(2-oxoquinolin-3-ylidene)acetic acid has a molecular weight of 201.18 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoquinolin-3-ylidene)acetic acid is sourced from PubChem (CID 141001940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).