1,2,5-trimethylpyridin-4-one

C8H11NO — CID 20671440

IUPAC1,2,5-trimethylpyridin-4-one
SMILESCc1cn(C)c(C)cc1=O
InChIInChI=1S/C8H11NO/c1-6-5-9(3)7(2)4-8(6)10/h4-5H,1-3H3
InChIKeyBZFUIEUJIQYMTH-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.00
Rot. Bonds

About 1,2,5-trimethylpyridin-4-one

1,2,5-trimethylpyridin-4-one (PubChem CID 20671440) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1,2,5-trimethylpyridin-4-one.

Molecular Properties

Compound Name1,2,5-trimethylpyridin-4-one
PubChem CID20671440
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1,2,5-trimethylpyridin-4-one
SMILESCc1cn(C)c(C)cc1=O
InChIInChI=1S/C8H11NO/c1-6-5-9(3)7(2)4-8(6)10/h4-5H,1-3H3
InChIKeyBZFUIEUJIQYMTH-UHFFFAOYSA-N
XLogP1.00
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Dimethylamino)-5-methylcyclohexa-2,5-diene-1,4-dione
CID 13470406
1,2-Dimethylpyridone
CID 13524148
2-Ethyl-1-methylpyridin-4-one
CID 13524147
1-Ethyl-2,6-dimethylpyridin-4-one
CID 86005798
1-Methyl-4-[(oxocyclohexadienylidene)-ethylidene]-1,4-dihydropyridine
CID 101937158
2-(Difluoromethyl)-1,5-dimethylpyridin-4-one
CID 59818294
2-(Fluoromethyl)-1,5-dimethylpyridin-4-one
CID 59818303
1,5-Dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one
CID 68223764
2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one
CID 70935168
1-(2,2-Difluoroethyl)-2,5-dimethylpyridin-4-one
CID 89114534
1,5-Dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane
CID 170583132
1-Methyl-5-propyl-2-(trifluoromethyl)pyridin-4-one
CID 170583211

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethylpyridin-4-one?
The IUPAC name of 1,2,5-trimethylpyridin-4-one (CID 20671440) is 1,2,5-trimethylpyridin-4-one.
What is the SMILES notation for 1,2,5-trimethylpyridin-4-one?
The canonical SMILES for 1,2,5-trimethylpyridin-4-one is Cc1cn(C)c(C)cc1=O.
What is the InChIKey of 1,2,5-trimethylpyridin-4-one?
The InChIKey is BZFUIEUJIQYMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-5-9(3)7(2)4-8(6)10/h4-5H,1-3H3.
What are the key properties of 1,2,5-trimethylpyridin-4-one?
1,2,5-trimethylpyridin-4-one has a molecular weight of 137.18 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethylpyridin-4-one is sourced from PubChem (CID 20671440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).