5,6-dimethyl-4,5-dihydro-2H-pyridin-3-one

C7H11NO — CID 148581047

IUPAC5,6-dimethyl-4,5-dihydro-2H-pyridin-3-one
SMILESCC1=NCC(=O)CC1C
InChIInChI=1S/C7H11NO/c1-5-3-7(9)4-8-6(5)2/h5H,3-4H2,1-2H3
InChIKeyMYTARNZYMUMRES-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.06
Rot. Bonds

About 5,6-dimethyl-4,5-dihydro-2H-pyridin-3-one

5,6-dimethyl-4,5-dihydro-2H-pyridin-3-one (PubChem CID 148581047) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5,6-dimethyl-4,5-dihydro-2H-pyridin-3-one.

Molecular Properties

Compound Name5,6-dimethyl-4,5-dihydro-2H-pyridin-3-one
PubChem CID148581047
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5,6-dimethyl-4,5-dihydro-2H-pyridin-3-one
SMILESCC1=NCC(=O)CC1C
InChIInChI=1S/C7H11NO/c1-5-3-7(9)4-8-6(5)2/h5H,3-4H2,1-2H3
InChIKeyMYTARNZYMUMRES-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
CID 566018
1-(2,3,4,5-Tetrahydropyridin-5-yl)ethanone
CID 53636822
1-(6-Methyl-2,3,4,5-tetrahydropyridin-5-yl)ethanone
CID 53819182
2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one
CID 54234304
2-Methyl-1-(2,3,4,5-tetrahydropyridin-6-yl)propan-1-one
CID 57329290
5-Propan-2-yl-2,4-dihydropyrrol-3-one
CID 57891926
6-methyl-4,5-dihydro-2H-pyridin-3-one
CID 58035441
6-propan-2-yl-4,5-dihydro-2H-pyridin-3-one
CID 58448513
1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone
CID 67320697
1-(6-Methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone
CID 90928147
6-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one
CID 91192071
3-(C-methyl-N-propylcarbonimidoyl)hexan-2-one
CID 118001967

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4,5-dihydro-2H-pyridin-3-one?
The IUPAC name of 5,6-dimethyl-4,5-dihydro-2H-pyridin-3-one (CID 148581047) is 5,6-dimethyl-4,5-dihydro-2H-pyridin-3-one.
What is the SMILES notation for 5,6-dimethyl-4,5-dihydro-2H-pyridin-3-one?
The canonical SMILES for 5,6-dimethyl-4,5-dihydro-2H-pyridin-3-one is CC1=NCC(=O)CC1C.
What is the InChIKey of 5,6-dimethyl-4,5-dihydro-2H-pyridin-3-one?
The InChIKey is MYTARNZYMUMRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-3-7(9)4-8-6(5)2/h5H,3-4H2,1-2H3.
What are the key properties of 5,6-dimethyl-4,5-dihydro-2H-pyridin-3-one?
5,6-dimethyl-4,5-dihydro-2H-pyridin-3-one has a molecular weight of 125.17 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4,5-dihydro-2H-pyridin-3-one is sourced from PubChem (CID 148581047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).