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

C9H15NO2Si — CID 130020130

IUPAC3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESCC1(O)C(=O)NC1C#C[Si](C)(C)C
InChIInChI=1S/C9H15NO2Si/c1-9(12)7(10-8(9)11)5-6-13(2,3)4/h7,12H,1-4H3,(H,10,11)
InChIKeyIJWQXZIVWRLNAV-UHFFFAOYSA-N
MW197.31 g/mol
LogP0.12
Rot. Bonds

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

3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one (PubChem CID 130020130) has the molecular formula C9H15NO2Si and a molecular weight of 197.31 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one.

Molecular Properties

Compound Name3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
PubChem CID130020130
Molecular FormulaC9H15NO2Si
Molecular Weight197.31 g/mol
Exact Mass197.09
IUPAC Name3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESCC1(O)C(=O)NC1C#C[Si](C)(C)C
InChIInChI=1S/C9H15NO2Si/c1-9(12)7(10-8(9)11)5-6-13(2,3)4/h7,12H,1-4H3,(H,10,11)
InChIKeyIJWQXZIVWRLNAV-UHFFFAOYSA-N
XLogP0.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-methyl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one
CID 10754471
(3R,4R)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 15419098
(3R,4S)-3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 15419099
(3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 15419100
(3R,4S)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 15419101

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The IUPAC name of 3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one (CID 130020130) is 3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one.
What is the SMILES notation for 3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The canonical SMILES for 3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one is CC1(O)C(=O)NC1C#C[Si](C)(C)C.
What is the InChIKey of 3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The InChIKey is IJWQXZIVWRLNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2Si/c1-9(12)7(10-8(9)11)5-6-13(2,3)4/h7,12H,1-4H3,(H,10,11).
What are the key properties of 3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one has a molecular weight of 197.31 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one is sourced from PubChem (CID 130020130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).