(3R,4R)-3-(2-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one

C10H16BrNOSi — CID 70459002

IUPAC(3R,4R)-3-(2-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESC[Si](C)(C)C#C[C@@H]1NC(=O)[C@@H]1CCBr
InChIInChI=1S/C10H16BrNOSi/c1-14(2,3)7-5-9-8(4-6-11)10(13)12-9/h8-9H,4,6H2,1-3H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyWECCVDZDCKPIQJ-BDAKNGLRSA-N
MW274.23 g/mol
LogP1.77
Rot. Bonds2

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

(3R,4R)-3-(2-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one (PubChem CID 70459002) has the molecular formula C10H16BrNOSi and a molecular weight of 274.23 g/mol. Its IUPAC name is (3R,4R)-3-(2-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-(2-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one
PubChem CID70459002
Molecular FormulaC10H16BrNOSi
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name(3R,4R)-3-(2-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one
SMILESC[Si](C)(C)C#C[C@@H]1NC(=O)[C@@H]1CCBr
InChIInChI=1S/C10H16BrNOSi/c1-14(2,3)7-5-9-8(4-6-11)10(13)12-9/h8-9H,4,6H2,1-3H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyWECCVDZDCKPIQJ-BDAKNGLRSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 (3R,4R)-3-(2-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-(2-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one (CID 70459002) is (3R,4R)-3-(2-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-(2-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-(2-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one is C[Si](C)(C)C#C[C@@H]1NC(=O)[C@@H]1CCBr.
What is the InChIKey of (3R,4R)-3-(2-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one?
The InChIKey is WECCVDZDCKPIQJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16BrNOSi/c1-14(2,3)7-5-9-8(4-6-11)10(13)12-9/h8-9H,4,6H2,1-3H3,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of (3R,4R)-3-(2-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one?
(3R,4R)-3-(2-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one has a molecular weight of 274.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(2-bromoethyl)-4-(2-trimethylsilylethynyl)azetidin-2-one is sourced from PubChem (CID 70459002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).