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

C8H13NO — CID 3591042

IUPAC1,2,5-trimethyl-2,6-dihydropyridin-3-one
SMILESCC1=CC(=O)C(C)N(C)C1
InChIInChI=1S/C8H13NO/c1-6-4-8(10)7(2)9(3)5-6/h4,7H,5H2,1-3H3
InChIKeySDTBXALUXSVVRK-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.84
Rot. Bonds

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

1,2,5-trimethyl-2,6-dihydropyridin-3-one (PubChem CID 3591042) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,2,5-trimethyl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1,2,5-trimethyl-2,6-dihydropyridin-3-one
PubChem CID3591042
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1,2,5-trimethyl-2,6-dihydropyridin-3-one
SMILESCC1=CC(=O)C(C)N(C)C1
InChIInChI=1S/C8H13NO/c1-6-4-8(10)7(2)9(3)5-6/h4,7H,5H2,1-3H3
InChIKeySDTBXALUXSVVRK-UHFFFAOYSA-N
XLogP0.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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

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
1,5-Dimethyl-2-isopropyl-4,5-dehydro-3-piperidone hydrochloride
CID 14547881
1-Ethyl-5-methyl-2,6-dihydropyridin-3-one
CID 1415642
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
(2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one
CID 6984975
(6R)-1,5,6-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one
CID 6984977
5-(Tert-butyl)-1,2-dimethyl-1,6-dihydro-3(2H)-pyridinone
CID 13443196
1-Tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride
CID 146051328
1,5-Dimethyl-1,6-dihydropyridin-3(2H)-one
CID 1415560
1-(1-methyl-3,6-dihydro-2H-pyridin-6-yl)ethanone
CID 17767554

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-2,6-dihydropyridin-3-one?
The IUPAC name of 1,2,5-trimethyl-2,6-dihydropyridin-3-one (CID 3591042) is 1,2,5-trimethyl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1,2,5-trimethyl-2,6-dihydropyridin-3-one?
The canonical SMILES for 1,2,5-trimethyl-2,6-dihydropyridin-3-one is CC1=CC(=O)C(C)N(C)C1.
What is the InChIKey of 1,2,5-trimethyl-2,6-dihydropyridin-3-one?
The InChIKey is SDTBXALUXSVVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-8(10)7(2)9(3)5-6/h4,7H,5H2,1-3H3.
What are the key properties of 1,2,5-trimethyl-2,6-dihydropyridin-3-one?
1,2,5-trimethyl-2,6-dihydropyridin-3-one has a molecular weight of 139.20 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 3591042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).