3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one

C7H11NO — CID 55287523

IUPAC3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one
SMILESCC1=C(C)CC(=O)NC1
InChIInChI=1S/C7H11NO/c1-5-3-7(9)8-4-6(5)2/h3-4H2,1-2H3,(H,8,9)
InChIKeyZKLKFBDSWMXILC-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds

About 3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one

3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one (PubChem CID 55287523) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one
PubChem CID55287523
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one
SMILESCC1=C(C)CC(=O)NC1
InChIInChI=1S/C7H11NO/c1-5-3-7(9)8-4-6(5)2/h3-4H2,1-2H3,(H,8,9)
InChIKeyZKLKFBDSWMXILC-UHFFFAOYSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

aziridin-2-one
CID 158991665
3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one
CID 20605812
1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 71356739
aziridin-2-one;formaldehyde
CID 19936529
ethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one
CID 144954980
2-methyl-5,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-6-one
CID 130250914
2-methyl-7,8-dihydro-5H-1,7-naphthyridin-6-one
CID 130250553
5,5-dimethylpiperazin-2-one
CID 23319655
2,4-dihydro-1H-isoquinolin-3-one;ethane;methane
CID 158727662
aziridin-2-one;naphthalene
CID 20975737
4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione
CID 102409774
ethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane
CID 143335324

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one?
The IUPAC name of 3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one (CID 55287523) is 3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one?
The canonical SMILES for 3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one is CC1=C(C)CC(=O)NC1.
What is the InChIKey of 3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one?
The InChIKey is ZKLKFBDSWMXILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-3-7(9)8-4-6(5)2/h3-4H2,1-2H3,(H,8,9).
What are the key properties of 3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one?
3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one has a molecular weight of 125.17 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 55287523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).