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

C6H9NO — CID 58035441

IUPAC6-methyl-4,5-dihydro-2H-pyridin-3-one
SMILESCC1=NCC(=O)CC1
InChIInChI=1S/C6H9NO/c1-5-2-3-6(8)4-7-5/h2-4H2,1H3
InChIKeyGRHWULDMRMKNLC-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.81
Rot. Bonds

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

6-methyl-4,5-dihydro-2H-pyridin-3-one (PubChem CID 58035441) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 6-methyl-4,5-dihydro-2H-pyridin-3-one.

Molecular Properties

Compound Name6-methyl-4,5-dihydro-2H-pyridin-3-one
PubChem CID58035441
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name6-methyl-4,5-dihydro-2H-pyridin-3-one
SMILESCC1=NCC(=O)CC1
InChIInChI=1S/C6H9NO/c1-5-2-3-6(8)4-7-5/h2-4H2,1H3
InChIKeyGRHWULDMRMKNLC-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Propionyl-3,4,5,6-tetrahydropyridine
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2-Methyl-5,6-dihydropyridin-3(4H)-one
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1-(5,5-Dideuterio-3,4-dihydropyrrol-2-yl)ethanone
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2-[(3-Oxohexan-2-yl)imino]hexan-3-one
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2-Acetyl-3,4,5,6-tetrahydropyridine Hydrochloride
CID 71313000
3-Methyliminocyclohexan-1-one
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5-dihydro-2H-pyridin-3-one?
The IUPAC name of 6-methyl-4,5-dihydro-2H-pyridin-3-one (CID 58035441) is 6-methyl-4,5-dihydro-2H-pyridin-3-one.
What is the SMILES notation for 6-methyl-4,5-dihydro-2H-pyridin-3-one?
The canonical SMILES for 6-methyl-4,5-dihydro-2H-pyridin-3-one is CC1=NCC(=O)CC1.
What is the InChIKey of 6-methyl-4,5-dihydro-2H-pyridin-3-one?
The InChIKey is GRHWULDMRMKNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-2-3-6(8)4-7-5/h2-4H2,1H3.
What are the key properties of 6-methyl-4,5-dihydro-2H-pyridin-3-one?
6-methyl-4,5-dihydro-2H-pyridin-3-one has a molecular weight of 111.14 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5-dihydro-2H-pyridin-3-one is sourced from PubChem (CID 58035441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).