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

C6H9NO — CID 91349977

IUPAC3-methyl-3,4-dihydro-2H-pyridin-5-one
SMILESCC1CN=CC(=O)C1
InChIInChI=1S/C6H9NO/c1-5-2-6(8)4-7-3-5/h4-5H,2-3H2,1H3
InChIKeyKEPJHYWEFNXPDF-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.67
Rot. Bonds

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

3-methyl-3,4-dihydro-2H-pyridin-5-one (PubChem CID 91349977) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-2H-pyridin-5-one.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-2H-pyridin-5-one
PubChem CID91349977
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name3-methyl-3,4-dihydro-2H-pyridin-5-one
SMILESCC1CN=CC(=O)C1
InChIInChI=1S/C6H9NO/c1-5-2-6(8)4-7-3-5/h4-5H,2-3H2,1H3
InChIKeyKEPJHYWEFNXPDF-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 129812978
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4-methyl-4,5-dihydro-2H-pyridin-3-one
CID 57312387
4-methyl-3,4-dihydro-2H-pyridin-5-one
CID 67075998
5,5-Dimethyl-2,3-dihydropyridin-4-one
CID 69973023
5-(2-Ethylpentylideneamino)pentan-2-one
CID 90725456
1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone
CID 91348644
2-Methyl-1-methyliminopentan-3-one
CID 91354266
1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one
CID 91419936
3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one
CID 91451660
5-methyl-4,5-dihydro-2H-pyridin-3-one
CID 91467008

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydro-2H-pyridin-5-one?
The IUPAC name of 3-methyl-3,4-dihydro-2H-pyridin-5-one (CID 91349977) is 3-methyl-3,4-dihydro-2H-pyridin-5-one.
What is the SMILES notation for 3-methyl-3,4-dihydro-2H-pyridin-5-one?
The canonical SMILES for 3-methyl-3,4-dihydro-2H-pyridin-5-one is CC1CN=CC(=O)C1.
What is the InChIKey of 3-methyl-3,4-dihydro-2H-pyridin-5-one?
The InChIKey is KEPJHYWEFNXPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-2-6(8)4-7-3-5/h4-5H,2-3H2,1H3.
What are the key properties of 3-methyl-3,4-dihydro-2H-pyridin-5-one?
3-methyl-3,4-dihydro-2H-pyridin-5-one has a molecular weight of 111.14 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-2H-pyridin-5-one is sourced from PubChem (CID 91349977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).