2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one

C7H11NO — CID 54234304

IUPAC2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one
SMILESCC1N=CCC(=O)C1C
InChIInChI=1S/C7H11NO/c1-5-6(2)8-4-3-7(5)9/h4-6H,3H2,1-2H3
InChIKeyQLKXQDYKVNAABO-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.05
Rot. Bonds

About 2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one

2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one (PubChem CID 54234304) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one
PubChem CID54234304
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one
SMILESCC1N=CCC(=O)C1C
InChIInChI=1S/C7H11NO/c1-5-6(2)8-4-3-7(5)9/h4-6H,3H2,1-2H3
InChIKeyQLKXQDYKVNAABO-UHFFFAOYSA-N
XLogP1.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,4,5-Tetrahydropyridin-5-yl)ethanone
CID 53636822
1-(2,3,4,5-Tetrahydropyridin-4-yl)ethanone
CID 53752699
2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one
CID 57004777
2-methyl-3,5-dihydro-2H-pyridin-4-one
CID 57079119
4-methyl-4,5-dihydro-2H-pyridin-3-one
CID 57312387
1-[(2S,4R)-4-methyl-3,4-dihydro-2H-pyrrol-2-yl]ethanone
CID 89028760
5-(2-Ethylpentylideneamino)pentan-2-one
CID 90725456
1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one
CID 91419936
5-methyl-4,5-dihydro-2H-pyridin-3-one
CID 91467008
2,4-Dimethyl-2,3,4,6-tetrahydroazepin-5-one
CID 123892575
2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one
CID 130028070
5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one
CID 130298979

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one?
The IUPAC name of 2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one (CID 54234304) is 2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one.
What is the SMILES notation for 2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one?
The canonical SMILES for 2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one is CC1N=CCC(=O)C1C.
What is the InChIKey of 2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one?
The InChIKey is QLKXQDYKVNAABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-6(2)8-4-3-7(5)9/h4-6H,3H2,1-2H3.
What are the key properties of 2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one?
2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one has a molecular weight of 125.17 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one is sourced from PubChem (CID 54234304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).