4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid

C10H11NO3 — CID 82111979

IUPAC4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
SMILESC=CCn1ccc(C)c(C(=O)O)c1=O
InChIInChI=1S/C10H11NO3/c1-3-5-11-6-4-7(2)8(9(11)12)10(13)14/h3-4,6H,1,5H2,2H3,(H,13,14)
InChIKeyIABPVLUMTYATAM-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.04
Rot. Bonds3

About 4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid

4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid (PubChem CID 82111979) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
PubChem CID82111979
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
SMILESC=CCn1ccc(C)c(C(=O)O)c1=O
InChIInChI=1S/C10H11NO3/c1-3-5-11-6-4-7(2)8(9(11)12)10(13)14/h3-4,6H,1,5H2,2H3,(H,13,14)
InChIKeyIABPVLUMTYATAM-UHFFFAOYSA-N
XLogP1.04
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid (CID 82111979) is 4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid is C=CCn1ccc(C)c(C(=O)O)c1=O.
What is the InChIKey of 4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid?
The InChIKey is IABPVLUMTYATAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-3-5-11-6-4-7(2)8(9(11)12)10(13)14/h3-4,6H,1,5H2,2H3,(H,13,14).
What are the key properties of 4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid?
4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid is sourced from PubChem (CID 82111979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).