4,6-dimethyl-1-prop-2-enylpyridin-2-one

C10H13NO — CID 86080282

IUPAC4,6-dimethyl-1-prop-2-enylpyridin-2-one
SMILESC=CCn1c(C)cc(C)cc1=O
InChIInChI=1S/C10H13NO/c1-4-5-11-9(3)6-8(2)7-10(11)12/h4,6-7H,1,5H2,2-3H3
InChIKeyFGZLLZCIHYHOMK-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.65
Rot. Bonds2

About 4,6-dimethyl-1-prop-2-enylpyridin-2-one

4,6-dimethyl-1-prop-2-enylpyridin-2-one (PubChem CID 86080282) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4,6-dimethyl-1-prop-2-enylpyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-prop-2-enylpyridin-2-one
PubChem CID86080282
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4,6-dimethyl-1-prop-2-enylpyridin-2-one
SMILESC=CCn1c(C)cc(C)cc1=O
InChIInChI=1S/C10H13NO/c1-4-5-11-9(3)6-8(2)7-10(11)12/h4,6-7H,1,5H2,2-3H3
InChIKeyFGZLLZCIHYHOMK-UHFFFAOYSA-N
XLogP1.65
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 1504759
1-Allyl-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 1485466
4,6-Dimethyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 4380373
2-methyl-4-oxo-4H-quinolizine-1-carbonitrile
CID 2426546
1-(Cyanomethyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 53243166
1-(3-Methylidene-2,6-dihydropyridin-1-yl)ethanone
CID 14140227
3-Cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinepropanenitrile
CID 57364615
2-methyl-6,7-dihydro-5H-indolizin-3-one
CID 122397881
2-Ethylisoquinolin-3-one
CID 12435499
1,5,6-Trimethyl-2-pyridone
CID 12735847
lithium N,N-diethylbenzamide
CID 12872035
5-Ethyl-1-propylpyridin-2-one
CID 13169254

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-prop-2-enylpyridin-2-one?
The IUPAC name of 4,6-dimethyl-1-prop-2-enylpyridin-2-one (CID 86080282) is 4,6-dimethyl-1-prop-2-enylpyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-prop-2-enylpyridin-2-one?
The canonical SMILES for 4,6-dimethyl-1-prop-2-enylpyridin-2-one is C=CCn1c(C)cc(C)cc1=O.
What is the InChIKey of 4,6-dimethyl-1-prop-2-enylpyridin-2-one?
The InChIKey is FGZLLZCIHYHOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-5-11-9(3)6-8(2)7-10(11)12/h4,6-7H,1,5H2,2-3H3.
What are the key properties of 4,6-dimethyl-1-prop-2-enylpyridin-2-one?
4,6-dimethyl-1-prop-2-enylpyridin-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-prop-2-enylpyridin-2-one is sourced from PubChem (CID 86080282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).