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

C7H11NO — CID 91451660

IUPAC3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one
SMILESCC1CN=CC(=O)C1C
InChIInChI=1S/C7H11NO/c1-5-3-8-4-7(9)6(5)2/h4-6H,3H2,1-2H3
InChIKeyHDZRISUJWPDZDN-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.91
Rot. Bonds

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

3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one (PubChem CID 91451660) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one.

Molecular Properties

Compound Name3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one
PubChem CID91451660
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one
SMILESCC1CN=CC(=O)C1C
InChIInChI=1S/C7H11NO/c1-5-3-8-4-7(9)6(5)2/h4-6H,3H2,1-2H3
InChIKeyHDZRISUJWPDZDN-UHFFFAOYSA-N
XLogP0.91
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,4,5-Tetrahydropyridin-5-yl)ethanone
CID 53636822
1-(2,3,4,5-Tetrahydropyridin-4-yl)ethanone
CID 53752699
4-methyl-4,5-dihydro-2H-pyridin-3-one
CID 57312387
3-tert-butyl-3,4-dihydro-2H-pyridin-5-one
CID 58468605
4-methyl-3,4-dihydro-2H-pyridin-5-one
CID 67075998
5-(2-Ethylpentylideneamino)pentan-2-one
CID 90725456
1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone
CID 91348644
3-methyl-3,4-dihydro-2H-pyridin-5-one
CID 91349977
1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one
CID 91419936
5-methyl-4,5-dihydro-2H-pyridin-3-one
CID 91467008
5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one
CID 130298979
(5S)-5-methyl-3,5-dihydro-2H-pyridin-4-one
CID 151209362

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one?
The IUPAC name of 3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one (CID 91451660) is 3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one.
What is the SMILES notation for 3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one?
The canonical SMILES for 3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one is CC1CN=CC(=O)C1C.
What is the InChIKey of 3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one?
The InChIKey is HDZRISUJWPDZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-3-8-4-7(9)6(5)2/h4-6H,3H2,1-2H3.
What are the key properties of 3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one?
3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one has a molecular weight of 125.17 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one is sourced from PubChem (CID 91451660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).