4-methyl-3H-pyridine-2,6-dione

C6H7NO2 — CID 23064062

IUPAC4-methyl-3H-pyridine-2,6-dione
SMILESCC1=CC(=O)NC(=O)C1
InChIInChI=1S/C6H7NO2/c1-4-2-5(8)7-6(9)3-4/h2H,3H2,1H3,(H,7,8,9)
InChIKeyOAGCYWTVNKSWKW-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.02
Rot. Bonds

About 4-methyl-3H-pyridine-2,6-dione

4-methyl-3H-pyridine-2,6-dione (PubChem CID 23064062) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 4-methyl-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name4-methyl-3H-pyridine-2,6-dione
PubChem CID23064062
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name4-methyl-3H-pyridine-2,6-dione
SMILESCC1=CC(=O)NC(=O)C1
InChIInChI=1S/C6H7NO2/c1-4-2-5(8)7-6(9)3-4/h2H,3H2,1H3,(H,7,8,9)
InChIKeyOAGCYWTVNKSWKW-UHFFFAOYSA-N
XLogP-0.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3H-pyridine-2,6-dione?
The IUPAC name of 4-methyl-3H-pyridine-2,6-dione (CID 23064062) is 4-methyl-3H-pyridine-2,6-dione.
What is the SMILES notation for 4-methyl-3H-pyridine-2,6-dione?
The canonical SMILES for 4-methyl-3H-pyridine-2,6-dione is CC1=CC(=O)NC(=O)C1.
What is the InChIKey of 4-methyl-3H-pyridine-2,6-dione?
The InChIKey is OAGCYWTVNKSWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-4-2-5(8)7-6(9)3-4/h2H,3H2,1H3,(H,7,8,9).
What are the key properties of 4-methyl-3H-pyridine-2,6-dione?
4-methyl-3H-pyridine-2,6-dione has a molecular weight of 125.13 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3H-pyridine-2,6-dione is sourced from PubChem (CID 23064062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).