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

C10H15NO2Si — CID 154242676

IUPAC3-acetyl-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESCC(=O)C1C(=O)NC1C#C[Si](C)(C)C
InChIInChI=1S/C10H15NO2Si/c1-7(12)9-8(11-10(9)13)5-6-14(2,3)4/h8-9H,1-4H3,(H,11,13)
InChIKeyOMHHVVMOPAEKOY-UHFFFAOYSA-N
MW209.32 g/mol
LogP0.57
Rot. Bonds1

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

3-acetyl-4-(2-trimethylsilylethynyl)azetidin-2-one (PubChem CID 154242676) has the molecular formula C10H15NO2Si and a molecular weight of 209.32 g/mol. Its IUPAC name is 3-acetyl-4-(2-trimethylsilylethynyl)azetidin-2-one.

Molecular Properties

Compound Name3-acetyl-4-(2-trimethylsilylethynyl)azetidin-2-one
PubChem CID154242676
Molecular FormulaC10H15NO2Si
Molecular Weight209.32 g/mol
Exact Mass209.09
IUPAC Name3-acetyl-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESCC(=O)C1C(=O)NC1C#C[Si](C)(C)C
InChIInChI=1S/C10H15NO2Si/c1-7(12)9-8(11-10(9)13)5-6-14(2,3)4/h8-9H,1-4H3,(H,11,13)
InChIKeyOMHHVVMOPAEKOY-UHFFFAOYSA-N
XLogP0.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 13891949
(3S,4S)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 13891950
3-Ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 13891947
(3R,4R)-3-ethyl-4-trimethylsilylethynyl-2-azetidinone
CID 13891948
3-Acetyl-1-[tert-butyl(dimethyl)silyl]-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 20034776
trans-3-Acetyl-1-(tert-butyldimethylsilyl)-4-trimethylsilylethynyl-2-azetidinone
CID 53923800
(3S,4S)-3-acetyl-1-(tert-butyldimethylsilyl)-4-trimethylsilylethynyl-2-azetidinone
CID 53923801
(3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 70392058
3-Propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 13219663
3-Methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 13445500
(3R,4R)-3-methyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 13445502
(3S,4R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 130754525

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The IUPAC name of 3-acetyl-4-(2-trimethylsilylethynyl)azetidin-2-one (CID 154242676) is 3-acetyl-4-(2-trimethylsilylethynyl)azetidin-2-one.
What is the SMILES notation for 3-acetyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The canonical SMILES for 3-acetyl-4-(2-trimethylsilylethynyl)azetidin-2-one is CC(=O)C1C(=O)NC1C#C[Si](C)(C)C.
What is the InChIKey of 3-acetyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The InChIKey is OMHHVVMOPAEKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2Si/c1-7(12)9-8(11-10(9)13)5-6-14(2,3)4/h8-9H,1-4H3,(H,11,13).
What are the key properties of 3-acetyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
3-acetyl-4-(2-trimethylsilylethynyl)azetidin-2-one has a molecular weight of 209.32 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-(2-trimethylsilylethynyl)azetidin-2-one is sourced from PubChem (CID 154242676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).