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

C6H7NO2 — CID 129415835

IUPAC1-methyl-4H-pyridine-2,3-dione
SMILESCN1C=CCC(=O)C1=O
InChIInChI=1S/C6H7NO2/c1-7-4-2-3-5(8)6(7)9/h2,4H,3H2,1H3
InChIKeyGEBZIGXXQAOQIG-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.07
Rot. Bonds

About 1-methyl-4H-pyridine-2,3-dione

1-methyl-4H-pyridine-2,3-dione (PubChem CID 129415835) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 1-methyl-4H-pyridine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4H-pyridine-2,3-dione
PubChem CID129415835
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name1-methyl-4H-pyridine-2,3-dione
SMILESCN1C=CCC(=O)C1=O
InChIInChI=1S/C6H7NO2/c1-7-4-2-3-5(8)6(7)9/h2,4H,3H2,1H3
InChIKeyGEBZIGXXQAOQIG-UHFFFAOYSA-N
XLogP-0.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3,4-dihydropyridin-2(1H)-one
CID 12220383
Azinedione
CID 17793305
N-methyl-3-pyridone
CID 118943944
1-hydroxy-4H-pyridine-2,3-dione
CID 139594038
N-methyl-2-oxo-N-[(Z)-prop-1-enyl]propanamide
CID 59882566
1-prop-2-enyl-4H-pyridine-2,3-dione
CID 67863893
1,4-Dihydropyridine-2,3-dione;iron
CID 70276260
1,4-Dihydropyridine-2,3-dione;ethane
CID 124020419
1,4-Dihydropyridine-2,3-dione;hydrochloride
CID 140356743
1-bromo-4H-pyridine-2,3-dione
CID 140650803
1-Ethenyl-3,4-dihydropyridin-2-one
CID 141441018
Ethane;1-methyl-3,4-dihydropyridin-2-one
CID 142822906

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4H-pyridine-2,3-dione?
The IUPAC name of 1-methyl-4H-pyridine-2,3-dione (CID 129415835) is 1-methyl-4H-pyridine-2,3-dione.
What is the SMILES notation for 1-methyl-4H-pyridine-2,3-dione?
The canonical SMILES for 1-methyl-4H-pyridine-2,3-dione is CN1C=CCC(=O)C1=O.
What is the InChIKey of 1-methyl-4H-pyridine-2,3-dione?
The InChIKey is GEBZIGXXQAOQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-7-4-2-3-5(8)6(7)9/h2,4H,3H2,1H3.
What are the key properties of 1-methyl-4H-pyridine-2,3-dione?
1-methyl-4H-pyridine-2,3-dione has a molecular weight of 125.13 g/mol, XLogP of -0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4H-pyridine-2,3-dione is sourced from PubChem (CID 129415835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).