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

C6H9NO — CID 57208150

IUPAC2-methyl-4,5-dihydro-2H-pyridin-3-one
SMILESCC1N=CCCC1=O
InChIInChI=1S/C6H9NO/c1-5-6(8)3-2-4-7-5/h4-5H,2-3H2,1H3
InChIKeyKTPNQLXPUCJOPE-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.81
Rot. Bonds

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

2-methyl-4,5-dihydro-2H-pyridin-3-one (PubChem CID 57208150) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-methyl-4,5-dihydro-2H-pyridin-3-one.

Molecular Properties

Compound Name2-methyl-4,5-dihydro-2H-pyridin-3-one
PubChem CID57208150
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-methyl-4,5-dihydro-2H-pyridin-3-one
SMILESCC1N=CCCC1=O
InChIInChI=1S/C6H9NO/c1-5-6(8)3-2-4-7-5/h4-5H,2-3H2,1H3
InChIKeyKTPNQLXPUCJOPE-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

1-(3,4-Dihydro-2H-pyrrol-2-yl)ethan-1-one
CID 15801179
2-Methyl-5,6-dihydropyridin-3(4H)-one
CID 56972721
1-(2,3,4,5-Tetrahydropyridin-2-yl)ethanone
CID 11205753
1-Cyclohexyliminopropan-2-one
CID 13498916
6-methyl-3,5-dihydro-2H-pyridin-4-one
CID 20644738
carbanide;(4-oxo-3,5-dihydro-2H-pyridin-6-yl)methylideneazanide;uranium(2+)
CID 20644797
2,5-Dimethyl-2,4-dihydropyrrol-3-one
CID 21031101
4,5-dihydro-2H-pyridin-3-one
CID 56634477
2-ethyl-4,5-dihydro-2H-pyridin-3-one
CID 57073546
2-methyl-3,5-dihydro-2H-pyridin-4-one
CID 57079119
6-methyl-4,5-dihydro-2H-pyridin-3-one
CID 58035441
1-(2,3,4,5-Tetrahydropyridin-2-yl)propan-1-one
CID 70024503

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydro-2H-pyridin-3-one?
The IUPAC name of 2-methyl-4,5-dihydro-2H-pyridin-3-one (CID 57208150) is 2-methyl-4,5-dihydro-2H-pyridin-3-one.
What is the SMILES notation for 2-methyl-4,5-dihydro-2H-pyridin-3-one?
The canonical SMILES for 2-methyl-4,5-dihydro-2H-pyridin-3-one is CC1N=CCCC1=O.
What is the InChIKey of 2-methyl-4,5-dihydro-2H-pyridin-3-one?
The InChIKey is KTPNQLXPUCJOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-6(8)3-2-4-7-5/h4-5H,2-3H2,1H3.
What are the key properties of 2-methyl-4,5-dihydro-2H-pyridin-3-one?
2-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 2-methyl-4,5-dihydro-2H-pyridin-3-one is sourced from PubChem (CID 57208150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).