1-ethyl-5-methyl-2,6-dihydropyridin-3-one

C8H13NO — CID 1415642

IUPAC1-ethyl-5-methyl-2,6-dihydropyridin-3-one
SMILESCCN1CC(=O)C=C(C)C1
InChIInChI=1S/C8H13NO/c1-3-9-5-7(2)4-8(10)6-9/h4H,3,5-6H2,1-2H3
InChIKeyKUUGCVHMDKEFIE-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.84
Rot. Bonds1

About 1-ethyl-5-methyl-2,6-dihydropyridin-3-one

1-ethyl-5-methyl-2,6-dihydropyridin-3-one (PubChem CID 1415642) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-ethyl-5-methyl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1-ethyl-5-methyl-2,6-dihydropyridin-3-one
PubChem CID1415642
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-ethyl-5-methyl-2,6-dihydropyridin-3-one
SMILESCCN1CC(=O)C=C(C)C1
InChIInChI=1S/C8H13NO/c1-3-9-5-7(2)4-8(10)6-9/h4H,3,5-6H2,1-2H3
InChIKeyKUUGCVHMDKEFIE-UHFFFAOYSA-N
XLogP0.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.84
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
2H-Pyridin-3-one, 1,5-di-tert-butyl-1,6-dihydro-
CID 871578
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
Diethylaminopentenone
CID 129803253
1-Tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide
CID 2873148
1-tert-butyl-4-methyl-1,6-dihydropyridin-3(2H)-one
CID 760900
(6R)-1,5,6-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one
CID 6984977
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-2,6-dihydropyridin-3-one?
The IUPAC name of 1-ethyl-5-methyl-2,6-dihydropyridin-3-one (CID 1415642) is 1-ethyl-5-methyl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1-ethyl-5-methyl-2,6-dihydropyridin-3-one?
The canonical SMILES for 1-ethyl-5-methyl-2,6-dihydropyridin-3-one is CCN1CC(=O)C=C(C)C1.
What is the InChIKey of 1-ethyl-5-methyl-2,6-dihydropyridin-3-one?
The InChIKey is KUUGCVHMDKEFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-9-5-7(2)4-8(10)6-9/h4H,3,5-6H2,1-2H3.
What are the key properties of 1-ethyl-5-methyl-2,6-dihydropyridin-3-one?
1-ethyl-5-methyl-2,6-dihydropyridin-3-one has a molecular weight of 139.20 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 1415642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).