(3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one

C10H17NOSi — CID 70392058

IUPAC(3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESCC[C@@H]1C(=O)N[C@H]1C#C[Si](C)(C)C
InChIInChI=1S/C10H17NOSi/c1-5-8-9(11-10(8)12)6-7-13(2,3)4/h8-9H,5H2,1-4H3,(H,11,12)/t8-,9-/m0/s1
InChIKeyFUUSMCROXWGYOQ-IUCAKERBSA-N
MW195.34 g/mol
LogP1.39
Rot. Bonds1

About (3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one

(3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one (PubChem CID 70392058) has the molecular formula C10H17NOSi and a molecular weight of 195.34 g/mol. Its IUPAC name is (3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one
PubChem CID70392058
Molecular FormulaC10H17NOSi
Molecular Weight195.34 g/mol
Exact Mass195.11
IUPAC Name(3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESCC[C@@H]1C(=O)N[C@H]1C#C[Si](C)(C)C
InChIInChI=1S/C10H17NOSi/c1-5-8-9(11-10(8)12)6-7-13(2,3)4/h8-9H,5H2,1-4H3,(H,11,12)/t8-,9-/m0/s1
InChIKeyFUUSMCROXWGYOQ-IUCAKERBSA-N
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.34
LogP ≤ 51.39
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 (3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The IUPAC name of (3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one (CID 70392058) is (3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one is CC[C@@H]1C(=O)N[C@H]1C#C[Si](C)(C)C.
What is the InChIKey of (3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The InChIKey is FUUSMCROXWGYOQ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17NOSi/c1-5-8-9(11-10(8)12)6-7-13(2,3)4/h8-9H,5H2,1-4H3,(H,11,12)/t8-,9-/m0/s1.
What are the key properties of (3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one?
(3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one has a molecular weight of 195.34 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one is sourced from PubChem (CID 70392058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).