4-methyl-6-oxopyran-2-carboxylic acid

C7H6O4 — CID 2739563

IUPAC4-methyl-6-oxopyran-2-carboxylic acid
SMILESCc1cc(C(=O)O)oc(=O)c1
InChIInChI=1S/C7H6O4/c1-4-2-5(7(9)10)11-6(8)3-4/h2-3H,1H3,(H,9,10)
InChIKeyBZWWYZGKVNJUHN-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.65
Rot. Bonds1

About 4-methyl-6-oxopyran-2-carboxylic acid

4-methyl-6-oxopyran-2-carboxylic acid (PubChem CID 2739563) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is 4-methyl-6-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-6-oxopyran-2-carboxylic acid
PubChem CID2739563
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name4-methyl-6-oxopyran-2-carboxylic acid
SMILESCc1cc(C(=O)O)oc(=O)c1
InChIInChI=1S/C7H6O4/c1-4-2-5(7(9)10)11-6(8)3-4/h2-3H,1H3,(H,9,10)
InChIKeyBZWWYZGKVNJUHN-UHFFFAOYSA-N
XLogP0.65
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxo-2H-pyran-6-carboxylic acid
CID 192724
alpha-Pyrone-4,6-dicarboxylic acid
CID 372
Alcanivorone
CID 10353048
3-hydroxy-2-oxo-2H-pyran-6-carboxylic acid
CID 54744025
2-oxo-2H-pyran-4,6-dicarboxylate
CID 22483467
methyl 4-methyl-2-oxo-2H-pyran-6-carboxylate
CID 2739565
4-ethyl-2H-pyran-2-one-6-carboxylic acid
CID 14516694
Iso-arabidopyl alcohol
CID 102515144
Arabidopate
CID 102515343
4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylate
CID 102515512
3-(5-Hydroxy-2-methyl-6-oxopyran-3-yl)-2-methylprop-2-enoic acid
CID 85119260
4-Ethyl-3-hydroxy-6-prop-1-enylpyran-2-one
CID 137554733

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-oxopyran-2-carboxylic acid?
The IUPAC name of 4-methyl-6-oxopyran-2-carboxylic acid (CID 2739563) is 4-methyl-6-oxopyran-2-carboxylic acid.
What is the SMILES notation for 4-methyl-6-oxopyran-2-carboxylic acid?
The canonical SMILES for 4-methyl-6-oxopyran-2-carboxylic acid is Cc1cc(C(=O)O)oc(=O)c1.
What is the InChIKey of 4-methyl-6-oxopyran-2-carboxylic acid?
The InChIKey is BZWWYZGKVNJUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4/c1-4-2-5(7(9)10)11-6(8)3-4/h2-3H,1H3,(H,9,10).
What are the key properties of 4-methyl-6-oxopyran-2-carboxylic acid?
4-methyl-6-oxopyran-2-carboxylic acid has a molecular weight of 154.12 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-oxopyran-2-carboxylic acid is sourced from PubChem (CID 2739563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).