3,3-dimethyl-1-[5-(2-trimethylsilylethynyl)-2-pyridinyl]pyrrolidin-2-one

C16H22N2OSi — CID 141314261

IUPAC3,3-dimethyl-1-[5-(2-trimethylsilylethynyl)-2-pyridinyl]pyrrolidin-2-one
SMILESCC1(C)CCN(c2ccc(C#C[Si](C)(C)C)cn2)C1=O
InChIInChI=1S/C16H22N2OSi/c1-16(2)9-10-18(15(16)19)14-7-6-13(12-17-14)8-11-20(3,4)5/h6-7,12H,9-10H2,1-5H3
InChIKeyHPUPEUCVFLROKZ-UHFFFAOYSA-N
MW286.45 g/mol
LogP3.07
Rot. Bonds1

About 3,3-dimethyl-1-[5-(2-trimethylsilylethynyl)-2-pyridinyl]pyrrolidin-2-one

3,3-dimethyl-1-[5-(2-trimethylsilylethynyl)-2-pyridinyl]pyrrolidin-2-one (PubChem CID 141314261) has the molecular formula C16H22N2OSi and a molecular weight of 286.45 g/mol. Its IUPAC name is 3,3-dimethyl-1-[5-(2-trimethylsilylethynyl)-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[5-(2-trimethylsilylethynyl)-2-pyridinyl]pyrrolidin-2-one
PubChem CID141314261
Molecular FormulaC16H22N2OSi
Molecular Weight286.45 g/mol
Exact Mass286.15
IUPAC Name3,3-dimethyl-1-[5-(2-trimethylsilylethynyl)-2-pyridinyl]pyrrolidin-2-one
SMILESCC1(C)CCN(c2ccc(C#C[Si](C)(C)C)cn2)C1=O
InChIInChI=1S/C16H22N2OSi/c1-16(2)9-10-18(15(16)19)14-7-6-13(12-17-14)8-11-20(3,4)5/h6-7,12H,9-10H2,1-5H3
InChIKeyHPUPEUCVFLROKZ-UHFFFAOYSA-N
XLogP3.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one
CID 58464024
3-[5-[2-(3,4-difluorophenyl)ethynyl]-2-pyridinyl]-6,6-dimethyl-1,3-oxazinan-2-one
CID 53494573
1-methyl-3-[5-(2-trimethylsilylethynyl)-2-pyridinyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
CID 67436711
(5S)-5-(2,2-dimethyl-1,1-diphenylpropoxy)-6,6-dimethyl-3-[5-(2-trimethylsilylethynyl)-2-pyridinyl]-1,3-oxazinan-2-one
CID 67436235
5,5-dimethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 53493226
5,5-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]piperidin-2-one
CID 53493228
4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]imidazolidin-2-one
CID 58464156
4,4-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]piperidin-2-one;7-[5-(2-phenylethynyl)-2-pyridinyl]-2-oxa-7-azaspiro[3.4]octan-6-one
CID 162124787
trimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane
CID 141208592
(5S)-5-hydroxy-6,6-dimethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazinan-2-one
CID 67437322
6-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-4-methyl-4,6-diazaspiro[2.4]heptan-5-one
CID 53494298
1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one
CID 66678736

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[5-(2-trimethylsilylethynyl)-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 3,3-dimethyl-1-[5-(2-trimethylsilylethynyl)-2-pyridinyl]pyrrolidin-2-one (CID 141314261) is 3,3-dimethyl-1-[5-(2-trimethylsilylethynyl)-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-[5-(2-trimethylsilylethynyl)-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 3,3-dimethyl-1-[5-(2-trimethylsilylethynyl)-2-pyridinyl]pyrrolidin-2-one is CC1(C)CCN(c2ccc(C#C[Si](C)(C)C)cn2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-[5-(2-trimethylsilylethynyl)-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is HPUPEUCVFLROKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OSi/c1-16(2)9-10-18(15(16)19)14-7-6-13(12-17-14)8-11-20(3,4)5/h6-7,12H,9-10H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-[5-(2-trimethylsilylethynyl)-2-pyridinyl]pyrrolidin-2-one?
3,3-dimethyl-1-[5-(2-trimethylsilylethynyl)-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 286.45 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[5-(2-trimethylsilylethynyl)-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 141314261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).