(3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one

C11H19NOSi — CID 130754526

IUPAC(3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESCC(C)[C@@H]1C(=O)N[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C11H19NOSi/c1-8(2)10-9(12-11(10)13)6-7-14(3,4)5/h8-10H,1-5H3,(H,12,13)/t9-,10+/m1/s1
InChIKeyDFPOVQXCIBGTLD-ZJUUUORDSA-N
MW209.36 g/mol
LogP1.64
Rot. Bonds1

About (3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one

(3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one (PubChem CID 130754526) has the molecular formula C11H19NOSi and a molecular weight of 209.36 g/mol. Its IUPAC name is (3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
PubChem CID130754526
Molecular FormulaC11H19NOSi
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESCC(C)[C@@H]1C(=O)N[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C11H19NOSi/c1-8(2)10-9(12-11(10)13)6-7-14(3,4)5/h8-10H,1-5H3,(H,12,13)/t9-,10+/m1/s1
InChIKeyDFPOVQXCIBGTLD-ZJUUUORDSA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 51.64
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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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-(1-Bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 20034775
3-(1-Hydroxy-1-methylethyl)-4-trimethylsilylethynyl-2-azetidinone
CID 20034791
(3R,4R)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 54462429
(3S,4S)-3-(1-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 57302573
(3S,4R)-3-ethyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 70392058
(3R,4R)-3-(2-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 70459002
3-Acetyl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 154242676
(3R,4R)-3-(2-hydroxypropan-2-yl)-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 172723544

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one (CID 130754526) is (3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one is CC(C)[C@@H]1C(=O)N[C@@H]1C#C[Si](C)(C)C.
What is the InChIKey of (3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one?
The InChIKey is DFPOVQXCIBGTLD-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19NOSi/c1-8(2)10-9(12-11(10)13)6-7-14(3,4)5/h8-10H,1-5H3,(H,12,13)/t9-,10+/m1/s1.
What are the key properties of (3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one?
(3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one has a molecular weight of 209.36 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one is sourced from PubChem (CID 130754526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).