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

C7H11NO — CID 134956033

IUPAC1,3-dimethyl-2,3-dihydropyridin-4-one
SMILESCC1CN(C)C=CC1=O
InChIInChI=1S/C7H11NO/c1-6-5-8(2)4-3-7(6)9/h3-4,6H,5H2,1-2H3
InChIKeyALCLTYLTYJDOMD-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.65
Rot. Bonds

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

1,3-dimethyl-2,3-dihydropyridin-4-one (PubChem CID 134956033) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,3-dimethyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-2,3-dihydropyridin-4-one
PubChem CID134956033
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1,3-dimethyl-2,3-dihydropyridin-4-one
SMILESCC1CN(C)C=CC1=O
InChIInChI=1S/C7H11NO/c1-6-5-8(2)4-3-7(6)9/h3-4,6H,5H2,1-2H3
InChIKeyALCLTYLTYJDOMD-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-oxo-2,3-dihydropyridine-3-carboxamide
CID 175819139
1-hydroxy-2,4-dimethylpyrazolidin-3-one
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CID 70576724
(7S)-2,4,7-trimethyl-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridin-6-one
CID 130719474
2,4-dimethyl-1-phenylpyrazolidin-3-one
CID 19777787
1,2-dimethyl-2H-pyridine-3,6-dione
CID 174843898
acetylene;(5R)-5-methylcyclopent-2-en-1-one
CID 142013525
(7R)-7-methylcyclohept-2-en-1-one
CID 13297857
7-methylcyclohept-2-en-1-one
CID 11309509
2,4-dimethyl-1,2-oxazolidin-5-one
CID 59994630
5,6-dimethylcyclohex-2-ene-1,4-dione
CID 130037029
8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one
CID 138970224

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,3-dihydropyridin-4-one?
The IUPAC name of 1,3-dimethyl-2,3-dihydropyridin-4-one (CID 134956033) is 1,3-dimethyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1,3-dimethyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1,3-dimethyl-2,3-dihydropyridin-4-one is CC1CN(C)C=CC1=O.
What is the InChIKey of 1,3-dimethyl-2,3-dihydropyridin-4-one?
The InChIKey is ALCLTYLTYJDOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-5-8(2)4-3-7(6)9/h3-4,6H,5H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,3-dihydropyridin-4-one?
1,3-dimethyl-2,3-dihydropyridin-4-one has a molecular weight of 125.17 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 134956033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).