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

C6H9NO — CID 57079119

IUPAC2-methyl-3,5-dihydro-2H-pyridin-4-one
SMILESCC1CC(=O)CC=N1
InChIInChI=1S/C6H9NO/c1-5-4-6(8)2-3-7-5/h3,5H,2,4H2,1H3
InChIKeyXXQJIFGLYZUKDA-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.81
Rot. Bonds

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

2-methyl-3,5-dihydro-2H-pyridin-4-one (PubChem CID 57079119) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-methyl-3,5-dihydro-2H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3,5-dihydro-2H-pyridin-4-one
PubChem CID57079119
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-methyl-3,5-dihydro-2H-pyridin-4-one
SMILESCC1CC(=O)CC=N1
InChIInChI=1S/C6H9NO/c1-5-4-6(8)2-3-7-5/h3,5H,2,4H2,1H3
InChIKeyXXQJIFGLYZUKDA-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,5-dihydro-2H-pyridin-4-one?
The IUPAC name of 2-methyl-3,5-dihydro-2H-pyridin-4-one (CID 57079119) is 2-methyl-3,5-dihydro-2H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3,5-dihydro-2H-pyridin-4-one?
The canonical SMILES for 2-methyl-3,5-dihydro-2H-pyridin-4-one is CC1CC(=O)CC=N1.
What is the InChIKey of 2-methyl-3,5-dihydro-2H-pyridin-4-one?
The InChIKey is XXQJIFGLYZUKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-4-6(8)2-3-7-5/h3,5H,2,4H2,1H3.
What are the key properties of 2-methyl-3,5-dihydro-2H-pyridin-4-one?
2-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 2-methyl-3,5-dihydro-2H-pyridin-4-one is sourced from PubChem (CID 57079119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).