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

C6H9NO — CID 57312387

IUPAC4-methyl-4,5-dihydro-2H-pyridin-3-one
SMILESCC1CC=NCC1=O
InChIInChI=1S/C6H9NO/c1-5-2-3-7-4-6(5)8/h3,5H,2,4H2,1H3
InChIKeyQYICWQNWCQEJLF-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.67
Rot. Bonds

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

4-methyl-4,5-dihydro-2H-pyridin-3-one (PubChem CID 57312387) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 4-methyl-4,5-dihydro-2H-pyridin-3-one.

Molecular Properties

Compound Name4-methyl-4,5-dihydro-2H-pyridin-3-one
PubChem CID57312387
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name4-methyl-4,5-dihydro-2H-pyridin-3-one
SMILESCC1CC=NCC1=O
InChIInChI=1S/C6H9NO/c1-5-2-3-7-4-6(5)8/h3,5H,2,4H2,1H3
InChIKeyQYICWQNWCQEJLF-UHFFFAOYSA-N
XLogP0.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetyl-1-pyrroline
CID 124095334
1-(2,3,4,5-Tetrahydropyridin-5-yl)ethanone
CID 53636822
1-(2,3,4,5-Tetrahydropyridin-4-yl)ethanone
CID 53752699
2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one
CID 54234304
4,5-dihydro-2H-pyridin-3-one
CID 56634477
4-methyl-3,4-dihydro-2H-pyridin-5-one
CID 67075998
1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone
CID 91348644
3-methyl-3,4-dihydro-2H-pyridin-5-one
CID 91349977
1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one
CID 91419936
3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one
CID 91451660
5-methyl-4,5-dihydro-2H-pyridin-3-one
CID 91467008
5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one
CID 130298979

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,5-dihydro-2H-pyridin-3-one?
The IUPAC name of 4-methyl-4,5-dihydro-2H-pyridin-3-one (CID 57312387) is 4-methyl-4,5-dihydro-2H-pyridin-3-one.
What is the SMILES notation for 4-methyl-4,5-dihydro-2H-pyridin-3-one?
The canonical SMILES for 4-methyl-4,5-dihydro-2H-pyridin-3-one is CC1CC=NCC1=O.
What is the InChIKey of 4-methyl-4,5-dihydro-2H-pyridin-3-one?
The InChIKey is QYICWQNWCQEJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-2-3-7-4-6(5)8/h3,5H,2,4H2,1H3.
What are the key properties of 4-methyl-4,5-dihydro-2H-pyridin-3-one?
4-methyl-4,5-dihydro-2H-pyridin-3-one has a molecular weight of 111.14 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,5-dihydro-2H-pyridin-3-one is sourced from PubChem (CID 57312387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).