4,5,6-trimethyl-2H-pyridin-3-one

C8H11NO — CID 20652899

IUPAC4,5,6-trimethyl-2H-pyridin-3-one
SMILESCC1=NCC(=O)C(C)=C1C
InChIInChI=1S/C8H11NO/c1-5-6(2)8(10)4-9-7(5)3/h4H2,1-3H3
InChIKeyDFBVTUMUDGBZSU-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.37
Rot. Bonds

About 4,5,6-trimethyl-2H-pyridin-3-one

4,5,6-trimethyl-2H-pyridin-3-one (PubChem CID 20652899) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4,5,6-trimethyl-2H-pyridin-3-one.

Molecular Properties

Compound Name4,5,6-trimethyl-2H-pyridin-3-one
PubChem CID20652899
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4,5,6-trimethyl-2H-pyridin-3-one
SMILESCC1=NCC(=O)C(C)=C1C
InChIInChI=1S/C8H11NO/c1-5-6(2)8(10)4-9-7(5)3/h4H2,1-3H3
InChIKeyDFBVTUMUDGBZSU-UHFFFAOYSA-N
XLogP1.37
TPSA29.43 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 ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6-Tetramethyl-4-methyliminocyclohexa-2,5-dien-1-one
CID 22979279
4,6-dimethyl-2H-pyridin-3-one
CID 58181117
5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one
CID 59887606
4,5-dimethyl-2H-pyridin-3-one
CID 89166537
1-(6-Methyl-2,3-dihydropyridin-5-yl)ethanone
CID 89404439
1-(3,5-dimethyl-2H-pyrrol-4-yl)ethanone
CID 97298650
3-(N-ethyl-C-methylcarbonimidoyl)-4-methylpent-3-en-2-one
CID 123346614
1-(4,6-Dimethyl-2,5-dihydropyridin-3-yl)ethanone
CID 123840164
3-(C,N-dimethylcarbonimidoyl)-4-methylpent-3-en-2-one;ethane
CID 143127939
(E)-3,4-dimethyl-5-methyliminohex-3-en-2-one
CID 143364858
5,6-dimethyl-2H-pyridin-3-one
CID 150176326
1-(4,5-dimethyl-2H-pyrrol-3-yl)ethanone
CID 174484478

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2H-pyridin-3-one?
The IUPAC name of 4,5,6-trimethyl-2H-pyridin-3-one (CID 20652899) is 4,5,6-trimethyl-2H-pyridin-3-one.
What is the SMILES notation for 4,5,6-trimethyl-2H-pyridin-3-one?
The canonical SMILES for 4,5,6-trimethyl-2H-pyridin-3-one is CC1=NCC(=O)C(C)=C1C.
What is the InChIKey of 4,5,6-trimethyl-2H-pyridin-3-one?
The InChIKey is DFBVTUMUDGBZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-6(2)8(10)4-9-7(5)3/h4H2,1-3H3.
What are the key properties of 4,5,6-trimethyl-2H-pyridin-3-one?
4,5,6-trimethyl-2H-pyridin-3-one has a molecular weight of 137.18 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2H-pyridin-3-one is sourced from PubChem (CID 20652899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).