1,6-dimethyl-2,3-dihydropyridin-4-one

C7H11NO — CID 23009022

IUPAC1,6-dimethyl-2,3-dihydropyridin-4-one
SMILESCC1=CC(=O)CCN1C
InChIInChI=1S/C7H11NO/c1-6-5-7(9)3-4-8(6)2/h5H,3-4H2,1-2H3
InChIKeyTTYWSYZQUNAJIB-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.79
Rot. Bonds

About 1,6-dimethyl-2,3-dihydropyridin-4-one

1,6-dimethyl-2,3-dihydropyridin-4-one (PubChem CID 23009022) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,6-dimethyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1,6-dimethyl-2,3-dihydropyridin-4-one
PubChem CID23009022
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1,6-dimethyl-2,3-dihydropyridin-4-one
SMILESCC1=CC(=O)CCN1C
InChIInChI=1S/C7H11NO/c1-6-5-7(9)3-4-8(6)2/h5H,3-4H2,1-2H3
InChIKeyTTYWSYZQUNAJIB-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,6-Trimethyl-4(1H)-pyridinone
CID 292248
4-Oxo-6-methyl-1,2,3,4-tetrahydropyridine
CID 12291208
(1E)-1-(1-Methylpyrrolidin-2-ylidene)propan-2-one
CID 12758234
1,6-Dimethyl-pyridin-2,4(1H,3H)-dion
CID 20637455
1-Ethyl-2,6-dimethylpyridin-4-one
CID 86005798
2,3,5,6-Tetrahydroindolizin-7(1H)-one
CID 13587400
2,6-Dimethyl-1-propan-2-ylpyridin-4-one
CID 45096262
1,2,6-Trimethyldihydropyridin-4-one
CID 12291212
(E)-5-piperidin-1-ylhex-4-en-3-one
CID 13378810
(E)-5-(dimethylamino)hex-4-en-3-one
CID 21718584
6-Methyl-1-propyl-1,2,3,4-tetrahydropyridine-2,4-dione
CID 66490089
2-(Dimethylamino)-2-hexen-4-one
CID 73828601

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2,3-dihydropyridin-4-one?
The IUPAC name of 1,6-dimethyl-2,3-dihydropyridin-4-one (CID 23009022) is 1,6-dimethyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1,6-dimethyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1,6-dimethyl-2,3-dihydropyridin-4-one is CC1=CC(=O)CCN1C.
What is the InChIKey of 1,6-dimethyl-2,3-dihydropyridin-4-one?
The InChIKey is TTYWSYZQUNAJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-5-7(9)3-4-8(6)2/h5H,3-4H2,1-2H3.
What are the key properties of 1,6-dimethyl-2,3-dihydropyridin-4-one?
1,6-dimethyl-2,3-dihydropyridin-4-one has a molecular weight of 125.17 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 23009022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).