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

C9H15NOSi — CID 13445500

IUPAC3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESCC1C(=O)NC1C#C[Si](C)(C)C
InChIInChI=1S/C9H15NOSi/c1-7-8(10-9(7)11)5-6-12(2,3)4/h7-8H,1-4H3,(H,10,11)
InChIKeyBQKFYQKESRMWFU-UHFFFAOYSA-N
MW181.31 g/mol
LogP1.00
Rot. Bonds

About 3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one

3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one (PubChem CID 13445500) has the molecular formula C9H15NOSi and a molecular weight of 181.31 g/mol. Its IUPAC name is 3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one.

Molecular Properties

Compound Name3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
PubChem CID13445500
Molecular FormulaC9H15NOSi
Molecular Weight181.31 g/mol
Exact Mass181.09
IUPAC Name3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESCC1C(=O)NC1C#C[Si](C)(C)C
InChIInChI=1S/C9H15NOSi/c1-7-8(10-9(7)11)5-6-12(2,3)4/h7-8H,1-4H3,(H,10,11)
InChIKeyBQKFYQKESRMWFU-UHFFFAOYSA-N
XLogP1.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.31
LogP ≤ 51.00
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 3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The IUPAC name of 3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one (CID 13445500) is 3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one.
What is the SMILES notation for 3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The canonical SMILES for 3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one is CC1C(=O)NC1C#C[Si](C)(C)C.
What is the InChIKey of 3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The InChIKey is BQKFYQKESRMWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOSi/c1-7-8(10-9(7)11)5-6-12(2,3)4/h7-8H,1-4H3,(H,10,11).
What are the key properties of 3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one has a molecular weight of 181.31 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one is sourced from PubChem (CID 13445500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).