4-methyl-1-phenyl-2-(2-trimethylsilylethynyl)-2,3-dihydropyridin-6-one

C17H21NOSi — CID 10356482

IUPAC4-methyl-1-phenyl-2-(2-trimethylsilylethynyl)-2,3-dihydropyridin-6-one
SMILESCC1=CC(=O)N(c2ccccc2)C(C#C[Si](C)(C)C)C1
InChIInChI=1S/C17H21NOSi/c1-14-12-16(10-11-20(2,3)4)18(17(19)13-14)15-8-6-5-7-9-15/h5-9,13,16H,12H2,1-4H3
InChIKeyCCXGFBAFTNRUIN-UHFFFAOYSA-N
MW283.45 g/mol
LogP3.62
Rot. Bonds1

About 4-methyl-1-phenyl-2-(2-trimethylsilylethynyl)-2,3-dihydropyridin-6-one

4-methyl-1-phenyl-2-(2-trimethylsilylethynyl)-2,3-dihydropyridin-6-one (PubChem CID 10356482) has the molecular formula C17H21NOSi and a molecular weight of 283.45 g/mol. Its IUPAC name is 4-methyl-1-phenyl-2-(2-trimethylsilylethynyl)-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name4-methyl-1-phenyl-2-(2-trimethylsilylethynyl)-2,3-dihydropyridin-6-one
PubChem CID10356482
Molecular FormulaC17H21NOSi
Molecular Weight283.45 g/mol
Exact Mass283.14
IUPAC Name4-methyl-1-phenyl-2-(2-trimethylsilylethynyl)-2,3-dihydropyridin-6-one
SMILESCC1=CC(=O)N(c2ccccc2)C(C#C[Si](C)(C)C)C1
InChIInChI=1S/C17H21NOSi/c1-14-12-16(10-11-20(2,3)4)18(17(19)13-14)15-8-6-5-7-9-15/h5-9,13,16H,12H2,1-4H3
InChIKeyCCXGFBAFTNRUIN-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one
CID 15570593
3-methyl-7-oxo-4-phenyl-1,4-diazabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 56619589
2-hydroxy-3-methoxy-1-phenyl-2H-pyrrol-5-one
CID 11608140
trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane
CID 101176241
(3aS,7aR)-4,6,7a-trimethyl-3-phenyl-3a,4-dihydro-1,3-benzoxazole-2,5-dione
CID 71663974
5-ethyl-1-phenylpyrrolidin-2-one
CID 14142559
(2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 124510271
[(2R,3S)-5-oxo-1-(2-phenylsulfanylethyl)-2-(2-trimethylsilylethynyl)pyrrolidin-3-yl] acetate
CID 101345374
3-methyl-4-phenyl-3H-1,2,4-triazol-5-one
CID 86255642
2,4,5-trimethyl-1,3-diphenyl-2H-imidazole
CID 126693775
4-(2-trimethylsilylethynyl)azetidin-2-one
CID 10103534
(3aS,7aR)-6,7a-dimethyl-3-phenyl-3a,4-dihydro-1,3-benzoxazole-2,5-dione
CID 71663800

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenyl-2-(2-trimethylsilylethynyl)-2,3-dihydropyridin-6-one?
The IUPAC name of 4-methyl-1-phenyl-2-(2-trimethylsilylethynyl)-2,3-dihydropyridin-6-one (CID 10356482) is 4-methyl-1-phenyl-2-(2-trimethylsilylethynyl)-2,3-dihydropyridin-6-one.
What is the SMILES notation for 4-methyl-1-phenyl-2-(2-trimethylsilylethynyl)-2,3-dihydropyridin-6-one?
The canonical SMILES for 4-methyl-1-phenyl-2-(2-trimethylsilylethynyl)-2,3-dihydropyridin-6-one is CC1=CC(=O)N(c2ccccc2)C(C#C[Si](C)(C)C)C1.
What is the InChIKey of 4-methyl-1-phenyl-2-(2-trimethylsilylethynyl)-2,3-dihydropyridin-6-one?
The InChIKey is CCXGFBAFTNRUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOSi/c1-14-12-16(10-11-20(2,3)4)18(17(19)13-14)15-8-6-5-7-9-15/h5-9,13,16H,12H2,1-4H3.
What are the key properties of 4-methyl-1-phenyl-2-(2-trimethylsilylethynyl)-2,3-dihydropyridin-6-one?
4-methyl-1-phenyl-2-(2-trimethylsilylethynyl)-2,3-dihydropyridin-6-one has a molecular weight of 283.45 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenyl-2-(2-trimethylsilylethynyl)-2,3-dihydropyridin-6-one is sourced from PubChem (CID 10356482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).