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

C7H11NO — CID 12662945

IUPAC1,2-dimethyl-2,3-dihydropyridin-6-one
SMILESCC1CC=CC(=O)N1C
InChIInChI=1S/C7H11NO/c1-6-4-3-5-7(9)8(6)2/h3,5-6H,4H2,1-2H3
InChIKeyUJRBQFZBFAUOET-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.79
Rot. Bonds

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

1,2-dimethyl-2,3-dihydropyridin-6-one (PubChem CID 12662945) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,2-dimethyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1,2-dimethyl-2,3-dihydropyridin-6-one
PubChem CID12662945
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1,2-dimethyl-2,3-dihydropyridin-6-one
SMILESCC1CC=CC(=O)N1C
InChIInChI=1S/C7H11NO/c1-6-4-3-5-7(9)8(6)2/h3,5-6H,4H2,1-2H3
InChIKeyUJRBQFZBFAUOET-UHFFFAOYSA-N
XLogP0.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
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 ≤ 101

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Related Compounds

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CID 174843898
(2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one
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acetylene;(5R)-5-methylcyclopent-2-en-1-one
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(3Z,6Z)-1-methyl-2,5-dihydroazocin-8-one
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ethane;1-methyl-2,3-dihydropyridin-6-one
CID 91157166
(2S,3S)-2,3-dihydroxy-1-methyl-2,3-dihydropyridin-6-one
CID 11159377
4-hydroxy-1-methyl-3-(1-sulfanylethyl)-4,5-dihydro-1,3-diazocine-2,8-dione
CID 163820052
3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione
CID 166651961
1-methyl-3,4-dihydro-2H-azepin-7-one
CID 23402554
ethane;2-methyl-1,6-dihydropyridazin-3-one
CID 177189521
(1R,6R)-7-methyl-7-azabicyclo[4.2.0]oct-3-en-8-one
CID 94036979
6-oxo-2,3-dihydropyridine-1,2-dicarboxylic acid
CID 77223286

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2,3-dihydropyridin-6-one?
The IUPAC name of 1,2-dimethyl-2,3-dihydropyridin-6-one (CID 12662945) is 1,2-dimethyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1,2-dimethyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 1,2-dimethyl-2,3-dihydropyridin-6-one is CC1CC=CC(=O)N1C.
What is the InChIKey of 1,2-dimethyl-2,3-dihydropyridin-6-one?
The InChIKey is UJRBQFZBFAUOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-4-3-5-7(9)8(6)2/h3,5-6H,4H2,1-2H3.
What are the key properties of 1,2-dimethyl-2,3-dihydropyridin-6-one?
1,2-dimethyl-2,3-dihydropyridin-6-one has a molecular weight of 125.17 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 12662945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).