3,4,6-trimethylpyridine-2,5-dione

C8H9NO2 — CID 21360883

IUPAC3,4,6-trimethylpyridine-2,5-dione
SMILESCC1=NC(=O)C(C)=C(C)C1=O
InChIInChI=1S/C8H9NO2/c1-4-5(2)8(11)9-6(3)7(4)10/h1-3H3
InChIKeySCOHMRKYMLTFQJ-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.89
Rot. Bonds

About 3,4,6-trimethylpyridine-2,5-dione

3,4,6-trimethylpyridine-2,5-dione (PubChem CID 21360883) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3,4,6-trimethylpyridine-2,5-dione.

Molecular Properties

Compound Name3,4,6-trimethylpyridine-2,5-dione
PubChem CID21360883
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3,4,6-trimethylpyridine-2,5-dione
SMILESCC1=NC(=O)C(C)=C(C)C1=O
InChIInChI=1S/C8H9NO2/c1-4-5(2)8(11)9-6(3)7(4)10/h1-3H3
InChIKeySCOHMRKYMLTFQJ-UHFFFAOYSA-N
XLogP0.89
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetyl-3,5-dimethyl-4-benzoquinone imine
CID 126483
Acetyl-2,6-dimethyl-4-benzoquinone imine
CID 156311
2,3,5,6-Tetramethyl-4-methyliminocyclohexa-2,5-dien-1-one
CID 22979279
2,4,5-trimethyl-3H-pyridin-6-one
CID 58981421
4,5-Diethyl-3-methylpyrrol-2-one
CID 90298364
5-Ethyl-3,4-dimethylpyrrol-2-one
CID 90298548
1-(4,6-Dimethyl-2,5-dihydropyridin-3-yl)ethanone
CID 123840164
N-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
CID 129144655
N-(2-acetyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
CID 155661312

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethylpyridine-2,5-dione?
The IUPAC name of 3,4,6-trimethylpyridine-2,5-dione (CID 21360883) is 3,4,6-trimethylpyridine-2,5-dione.
What is the SMILES notation for 3,4,6-trimethylpyridine-2,5-dione?
The canonical SMILES for 3,4,6-trimethylpyridine-2,5-dione is CC1=NC(=O)C(C)=C(C)C1=O.
What is the InChIKey of 3,4,6-trimethylpyridine-2,5-dione?
The InChIKey is SCOHMRKYMLTFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-4-5(2)8(11)9-6(3)7(4)10/h1-3H3.
What are the key properties of 3,4,6-trimethylpyridine-2,5-dione?
3,4,6-trimethylpyridine-2,5-dione has a molecular weight of 151.16 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethylpyridine-2,5-dione is sourced from PubChem (CID 21360883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).