4-(2-trimethylsilylethynyl)azetidin-2-one

C8H13NOSi — CID 10103534

IUPAC4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESC[Si](C)(C)C#CC1CC(=O)N1
InChIInChI=1S/C8H13NOSi/c1-11(2,3)5-4-7-6-8(10)9-7/h7H,6H2,1-3H3,(H,9,10)
InChIKeyLQGSFHVFEMXYAD-UHFFFAOYSA-N
MW167.28 g/mol
LogP0.76
Rot. Bonds

About 4-(2-trimethylsilylethynyl)azetidin-2-one

4-(2-trimethylsilylethynyl)azetidin-2-one (PubChem CID 10103534) has the molecular formula C8H13NOSi and a molecular weight of 167.28 g/mol. Its IUPAC name is 4-(2-trimethylsilylethynyl)azetidin-2-one.

Molecular Properties

Compound Name4-(2-trimethylsilylethynyl)azetidin-2-one
PubChem CID10103534
Molecular FormulaC8H13NOSi
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESC[Si](C)(C)C#CC1CC(=O)N1
InChIInChI=1S/C8H13NOSi/c1-11(2,3)5-4-7-6-8(10)9-7/h7H,6H2,1-3H3,(H,9,10)
InChIKeyLQGSFHVFEMXYAD-UHFFFAOYSA-N
XLogP0.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-trimethylsilylethynyl)azetidin-2-one?
The IUPAC name of 4-(2-trimethylsilylethynyl)azetidin-2-one (CID 10103534) is 4-(2-trimethylsilylethynyl)azetidin-2-one.
What is the SMILES notation for 4-(2-trimethylsilylethynyl)azetidin-2-one?
The canonical SMILES for 4-(2-trimethylsilylethynyl)azetidin-2-one is C[Si](C)(C)C#CC1CC(=O)N1.
What is the InChIKey of 4-(2-trimethylsilylethynyl)azetidin-2-one?
The InChIKey is LQGSFHVFEMXYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOSi/c1-11(2,3)5-4-7-6-8(10)9-7/h7H,6H2,1-3H3,(H,9,10).
What are the key properties of 4-(2-trimethylsilylethynyl)azetidin-2-one?
4-(2-trimethylsilylethynyl)azetidin-2-one has a molecular weight of 167.28 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-trimethylsilylethynyl)azetidin-2-one is sourced from PubChem (CID 10103534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).