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

C6H9NO — CID 20644738

IUPAC6-methyl-3,5-dihydro-2H-pyridin-4-one
SMILESCC1=NCCC(=O)C1
InChIInChI=1S/C6H9NO/c1-5-4-6(8)2-3-7-5/h2-4H2,1H3
InChIKeyHQMDQXZGDSLVHM-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.81
Rot. Bonds

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

6-methyl-3,5-dihydro-2H-pyridin-4-one (PubChem CID 20644738) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 6-methyl-3,5-dihydro-2H-pyridin-4-one.

Molecular Properties

Compound Name6-methyl-3,5-dihydro-2H-pyridin-4-one
PubChem CID20644738
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name6-methyl-3,5-dihydro-2H-pyridin-4-one
SMILESCC1=NCCC(=O)C1
InChIInChI=1S/C6H9NO/c1-5-4-6(8)2-3-7-5/h2-4H2,1H3
InChIKeyHQMDQXZGDSLVHM-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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CID 529251
2-Acetyl-1-pyrroline
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2-Propionyl-3,4,5,6-tetrahydropyridine
CID 522743
2-Methyl-5,6-dihydropyridin-3(4H)-one
CID 56972721
1-(5,5-Dideuterio-3,4-dihydropyrrol-2-yl)ethanone
CID 87340164
Pentadeuterio-2-acetyl-1-pyrroline
CID 146018659
2-Acetyl-3,4,5,6-tetrahydropyridine Hydrochloride
CID 71313000
4-Ethyliminopentan-2-one
CID 18322611
4-Decyliminopentan-2-one
CID 20512963
4-(Cyclohexylimino)pentan-2-one
CID 20512965
carbanide;(4-oxo-3,5-dihydro-2H-pyridin-6-yl)methylideneazanide;uranium(2+)
CID 20644797

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,5-dihydro-2H-pyridin-4-one?
The IUPAC name of 6-methyl-3,5-dihydro-2H-pyridin-4-one (CID 20644738) is 6-methyl-3,5-dihydro-2H-pyridin-4-one.
What is the SMILES notation for 6-methyl-3,5-dihydro-2H-pyridin-4-one?
The canonical SMILES for 6-methyl-3,5-dihydro-2H-pyridin-4-one is CC1=NCCC(=O)C1.
What is the InChIKey of 6-methyl-3,5-dihydro-2H-pyridin-4-one?
The InChIKey is HQMDQXZGDSLVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-4-6(8)2-3-7-5/h2-4H2,1H3.
What are the key properties of 6-methyl-3,5-dihydro-2H-pyridin-4-one?
6-methyl-3,5-dihydro-2H-pyridin-4-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-3,5-dihydro-2H-pyridin-4-one is sourced from PubChem (CID 20644738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).