1,5-dimethyl-2,6-dihydropyridin-3-one

C7H11NO — CID 1415560

IUPAC1,5-dimethyl-2,6-dihydropyridin-3-one
SMILESCC1=CC(=O)CN(C)C1
InChIInChI=1S/C7H11NO/c1-6-3-7(9)5-8(2)4-6/h3H,4-5H2,1-2H3
InChIKeyJTODQIZKUXRTPW-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.45
Rot. Bonds

About 1,5-dimethyl-2,6-dihydropyridin-3-one

1,5-dimethyl-2,6-dihydropyridin-3-one (PubChem CID 1415560) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,5-dimethyl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2,6-dihydropyridin-3-one
PubChem CID1415560
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1,5-dimethyl-2,6-dihydropyridin-3-one
SMILESCC1=CC(=O)CN(C)C1
InChIInChI=1S/C7H11NO/c1-6-3-7(9)5-8(2)4-6/h3H,4-5H2,1-2H3
InChIKeyJTODQIZKUXRTPW-UHFFFAOYSA-N
XLogP0.45
TPSA20.31 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 ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Methyl-1,2,5,6-tetrahydro-3-pyridinyl)ethanone
CID 10975568
Azacyclohex-3-en-5-one, 1-tert-butyl-3-methyl-
CID 592338
1-t-Butyl-2,5-dimethyl-4,5-dehydro-3-piperidone
CID 3438403
1,2,5-Trimethyl-4,5-dehydropiperid-3-one
CID 3591042
1-Ethyl-5-methyl-2,6-dihydropyridin-3-one
CID 1415642
1-tert-butyl-4-methyl-1,6-dihydropyridin-3(2H)-one
CID 760900
5-tert-butyl-1-methyl-1,6-dihydropyridin-3(2H)-one
CID 12260942
1-Tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride
CID 146051328
5-Tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide
CID 163331713
1-Methyl-1,6-dihydropyridin-3(2H)-one
CID 20062226
1-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethanone
CID 20431568
1-(3,6-dihydro-2H-pyridin-1-yl)propan-2-one
CID 20687039

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,6-dihydropyridin-3-one?
The IUPAC name of 1,5-dimethyl-2,6-dihydropyridin-3-one (CID 1415560) is 1,5-dimethyl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1,5-dimethyl-2,6-dihydropyridin-3-one?
The canonical SMILES for 1,5-dimethyl-2,6-dihydropyridin-3-one is CC1=CC(=O)CN(C)C1.
What is the InChIKey of 1,5-dimethyl-2,6-dihydropyridin-3-one?
The InChIKey is JTODQIZKUXRTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-3-7(9)5-8(2)4-6/h3H,4-5H2,1-2H3.
What are the key properties of 1,5-dimethyl-2,6-dihydropyridin-3-one?
1,5-dimethyl-2,6-dihydropyridin-3-one has a molecular weight of 125.17 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 1415560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).