3-hydroxy-1,5-dimethyl-3-(2-trimethylsilylethynyl)pyrrolidin-2-one

C11H19NO2Si — CID 178132456

IUPAC3-hydroxy-1,5-dimethyl-3-(2-trimethylsilylethynyl)pyrrolidin-2-one
SMILESCC1CC(O)(C#C[Si](C)(C)C)C(=O)N1C
InChIInChI=1S/C11H19NO2Si/c1-9-8-11(14,10(13)12(9)2)6-7-15(3,4)5/h9,14H,8H2,1-5H3
InChIKeyLXUXDBRXSWTJBW-UHFFFAOYSA-N
MW225.36 g/mol
LogP0.85
Rot. Bonds

About 3-hydroxy-1,5-dimethyl-3-(2-trimethylsilylethynyl)pyrrolidin-2-one

3-hydroxy-1,5-dimethyl-3-(2-trimethylsilylethynyl)pyrrolidin-2-one (PubChem CID 178132456) has the molecular formula C11H19NO2Si and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-hydroxy-1,5-dimethyl-3-(2-trimethylsilylethynyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1,5-dimethyl-3-(2-trimethylsilylethynyl)pyrrolidin-2-one
PubChem CID178132456
Molecular FormulaC11H19NO2Si
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name3-hydroxy-1,5-dimethyl-3-(2-trimethylsilylethynyl)pyrrolidin-2-one
SMILESCC1CC(O)(C#C[Si](C)(C)C)C(=O)N1C
InChIInChI=1S/C11H19NO2Si/c1-9-8-11(14,10(13)12(9)2)6-7-15(3,4)5/h9,14H,8H2,1-5H3
InChIKeyLXUXDBRXSWTJBW-UHFFFAOYSA-N
XLogP0.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,5-dimethyl-3-(2-trimethylsilylethynyl)pyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1,5-dimethyl-3-(2-trimethylsilylethynyl)pyrrolidin-2-one (CID 178132456) is 3-hydroxy-1,5-dimethyl-3-(2-trimethylsilylethynyl)pyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1,5-dimethyl-3-(2-trimethylsilylethynyl)pyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1,5-dimethyl-3-(2-trimethylsilylethynyl)pyrrolidin-2-one is CC1CC(O)(C#C[Si](C)(C)C)C(=O)N1C.
What is the InChIKey of 3-hydroxy-1,5-dimethyl-3-(2-trimethylsilylethynyl)pyrrolidin-2-one?
The InChIKey is LXUXDBRXSWTJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2Si/c1-9-8-11(14,10(13)12(9)2)6-7-15(3,4)5/h9,14H,8H2,1-5H3.
What are the key properties of 3-hydroxy-1,5-dimethyl-3-(2-trimethylsilylethynyl)pyrrolidin-2-one?
3-hydroxy-1,5-dimethyl-3-(2-trimethylsilylethynyl)pyrrolidin-2-one has a molecular weight of 225.36 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,5-dimethyl-3-(2-trimethylsilylethynyl)pyrrolidin-2-one is sourced from PubChem (CID 178132456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).