6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid

C11H13NO3 — CID 62876183

IUPAC6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid
SMILESC=C(C)Cn1c(C)ccc(C(=O)O)c1=O
InChIInChI=1S/C11H13NO3/c1-7(2)6-12-8(3)4-5-9(10(12)13)11(14)15/h4-5H,1,6H2,2-3H3,(H,14,15)
InChIKeyVQVKJEWCRJIDQO-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.43
Rot. Bonds3

About 6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid

6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 62876183) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid
PubChem CID62876183
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid
SMILESC=C(C)Cn1c(C)ccc(C(=O)O)c1=O
InChIInChI=1S/C11H13NO3/c1-7(2)6-12-8(3)4-5-9(10(12)13)11(14)15/h4-5H,1,6H2,2-3H3,(H,14,15)
InChIKeyVQVKJEWCRJIDQO-UHFFFAOYSA-N
XLogP1.43
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.43
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 6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid (CID 62876183) is 6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid is C=C(C)Cn1c(C)ccc(C(=O)O)c1=O.
What is the InChIKey of 6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is VQVKJEWCRJIDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(2)6-12-8(3)4-5-9(10(12)13)11(14)15/h4-5H,1,6H2,2-3H3,(H,14,15).
What are the key properties of 6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid?
6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 62876183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).