1,6-dimethylpyridine-2,4-dione

C7H9NO2 — CID 20637455

IUPAC1,6-dimethylpyridine-2,4-dione
SMILESCC1=CC(=O)CC(=O)N1C
InChIInChI=1S/C7H9NO2/c1-5-3-6(9)4-7(10)8(5)2/h3H,4H2,1-2H3
InChIKeyCKJOAFOYCWWNPR-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.32
Rot. Bonds

About 1,6-dimethylpyridine-2,4-dione

1,6-dimethylpyridine-2,4-dione (PubChem CID 20637455) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1,6-dimethylpyridine-2,4-dione.

Molecular Properties

Compound Name1,6-dimethylpyridine-2,4-dione
PubChem CID20637455
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1,6-dimethylpyridine-2,4-dione
SMILESCC1=CC(=O)CC(=O)N1C
InChIInChI=1S/C7H9NO2/c1-5-3-6(9)4-7(10)8(5)2/h3H,4H2,1-2H3
InChIKeyCKJOAFOYCWWNPR-UHFFFAOYSA-N
XLogP0.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,6-Dimethyl-3,4-dihydro-2-pyridone
CID 67965878
1-Methyl-6-(trifluoromethyl)pyridine-2,4-dione
CID 67646629
2,4(1H,3H)-Pyridinedione, 3-acetyl-1,6-dimethyl-
CID 91724370
6-Methyl-1-propyl-1,2,3,4-tetrahydropyridine-2,4-dione
CID 66490089
1,2,5,6-Tetrahydroindolizine-3,7-dione
CID 13854593
1,6-Di(propan-2-yl)pyridine-2,4-dione
CID 20786204
1,3,6-Trimethylpyridine-2,4-dione
CID 22890210
1,6-Dimethyl-2,3-dihydropyridin-4-one
CID 23009022
N-methyl-N-[(Z)-4-oxopent-2-en-2-yl]propanamide
CID 59963044
3-Acetyl-1,6-dimethylpyridin-2-one
CID 82064508
3-Amino-1,6-dimethylpyridine-2,4-dione
CID 122473586
2-Ethyl-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 145809601

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylpyridine-2,4-dione?
The IUPAC name of 1,6-dimethylpyridine-2,4-dione (CID 20637455) is 1,6-dimethylpyridine-2,4-dione.
What is the SMILES notation for 1,6-dimethylpyridine-2,4-dione?
The canonical SMILES for 1,6-dimethylpyridine-2,4-dione is CC1=CC(=O)CC(=O)N1C.
What is the InChIKey of 1,6-dimethylpyridine-2,4-dione?
The InChIKey is CKJOAFOYCWWNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-3-6(9)4-7(10)8(5)2/h3H,4H2,1-2H3.
What are the key properties of 1,6-dimethylpyridine-2,4-dione?
1,6-dimethylpyridine-2,4-dione has a molecular weight of 139.15 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylpyridine-2,4-dione is sourced from PubChem (CID 20637455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).