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

C6H9NO — CID 57121914

IUPAC3-methyl-4,5-dihydro-3H-pyridin-2-one
SMILESCC1CCC=NC1=O
InChIInChI=1S/C6H9NO/c1-5-3-2-4-7-6(5)8/h4-5H,2-3H2,1H3
InChIKeyATXXPPCXFPOEGO-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.01
Rot. Bonds

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

3-methyl-4,5-dihydro-3H-pyridin-2-one (PubChem CID 57121914) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 3-methyl-4,5-dihydro-3H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-4,5-dihydro-3H-pyridin-2-one
PubChem CID57121914
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name3-methyl-4,5-dihydro-3H-pyridin-2-one
SMILESCC1CCC=NC1=O
InChIInChI=1S/C6H9NO/c1-5-3-2-4-7-6(5)8/h4-5H,2-3H2,1H3
InChIKeyATXXPPCXFPOEGO-UHFFFAOYSA-N
XLogP1.01
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Dihydropyridin-2(5h)-one
CID 14384412
3-methyl-1-oxido-4,5-dihydro-3H-pyridin-1-ium-2-one
CID 178244338
N-ethylidene-2-methylbutanamide
CID 20716715
2,3,4,5-Tetrahydropyridine-5-carboxamide
CID 28406199
(5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one
CID 89024010
N-ethylidenepentanamide
CID 89981079
5-methyl-4,5-dihydro-2H-pyridin-3-one
CID 91467008
4,5-dihydro-3H-pyridin-2-one;ethane
CID 123233041
5-ethyl-4,5-dihydro-3H-pyridin-2-one
CID 123333239
3,3,5,5-tetramethyl-4H-pyridin-2-one
CID 141131117
4-methyl-N-methylidenepentanamide
CID 148976283
(3S)-3-propan-2-yl-3,4-dihydropyrrol-2-one
CID 153528636

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-dihydro-3H-pyridin-2-one?
The IUPAC name of 3-methyl-4,5-dihydro-3H-pyridin-2-one (CID 57121914) is 3-methyl-4,5-dihydro-3H-pyridin-2-one.
What is the SMILES notation for 3-methyl-4,5-dihydro-3H-pyridin-2-one?
The canonical SMILES for 3-methyl-4,5-dihydro-3H-pyridin-2-one is CC1CCC=NC1=O.
What is the InChIKey of 3-methyl-4,5-dihydro-3H-pyridin-2-one?
The InChIKey is ATXXPPCXFPOEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-3-2-4-7-6(5)8/h4-5H,2-3H2,1H3.
What are the key properties of 3-methyl-4,5-dihydro-3H-pyridin-2-one?
3-methyl-4,5-dihydro-3H-pyridin-2-one has a molecular weight of 111.14 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-dihydro-3H-pyridin-2-one is sourced from PubChem (CID 57121914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).