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

C6H9NO — CID 91467008

IUPAC5-methyl-4,5-dihydro-2H-pyridin-3-one
SMILESCC1C=NCC(=O)C1
InChIInChI=1S/C6H9NO/c1-5-2-6(8)4-7-3-5/h3,5H,2,4H2,1H3
InChIKeyVKHACZGGJOJOSL-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.67
Rot. Bonds

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

5-methyl-4,5-dihydro-2H-pyridin-3-one (PubChem CID 91467008) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 5-methyl-4,5-dihydro-2H-pyridin-3-one.

Molecular Properties

Compound Name5-methyl-4,5-dihydro-2H-pyridin-3-one
PubChem CID91467008
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name5-methyl-4,5-dihydro-2H-pyridin-3-one
SMILESCC1C=NCC(=O)C1
InChIInChI=1S/C6H9NO/c1-5-2-6(8)4-7-3-5/h3,5H,2,4H2,1H3
InChIKeyVKHACZGGJOJOSL-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

Analyze 5-methyl-4,5-dihydro-2H-pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3,4,5-Tetrahydropyridin-5-yl)ethanone
CID 53636822
1-(2,3,4,5-Tetrahydropyridin-4-yl)ethanone
CID 53752699
2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one
CID 54234304
4,5-dihydro-2H-pyridin-3-one
CID 56634477
2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one
CID 57004777
3-methyl-4,5-dihydro-3H-pyridin-2-one
CID 57121914
4-methyl-4,5-dihydro-2H-pyridin-3-one
CID 57312387
4-methyl-3,4-dihydro-2H-pyridin-5-one
CID 67075998
(5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one
CID 89024010
1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone
CID 91348644
3-methyl-3,4-dihydro-2H-pyridin-5-one
CID 91349977
2-Methyl-1-methyliminopentan-3-one
CID 91354266

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,5-dihydro-2H-pyridin-3-one?
The IUPAC name of 5-methyl-4,5-dihydro-2H-pyridin-3-one (CID 91467008) is 5-methyl-4,5-dihydro-2H-pyridin-3-one.
What is the SMILES notation for 5-methyl-4,5-dihydro-2H-pyridin-3-one?
The canonical SMILES for 5-methyl-4,5-dihydro-2H-pyridin-3-one is CC1C=NCC(=O)C1.
What is the InChIKey of 5-methyl-4,5-dihydro-2H-pyridin-3-one?
The InChIKey is VKHACZGGJOJOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-2-6(8)4-7-3-5/h3,5H,2,4H2,1H3.
What are the key properties of 5-methyl-4,5-dihydro-2H-pyridin-3-one?
5-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 5-methyl-4,5-dihydro-2H-pyridin-3-one is sourced from PubChem (CID 91467008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).