1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one

C13H25NO2Si — CID 13219686

IUPAC1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one
SMILESC=CC1C(C(C)O)C(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25NO2Si/c1-8-10-11(9(2)15)12(16)14(10)17(6,7)13(3,4)5/h8-11,15H,1H2,2-7H3
InChIKeyWBXHDSCHWQKGCU-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.39
Rot. Bonds3

About 1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one

1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one (PubChem CID 13219686) has the molecular formula C13H25NO2Si and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one
PubChem CID13219686
Molecular FormulaC13H25NO2Si
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one
SMILESC=CC1C(C(C)O)C(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25NO2Si/c1-8-10-11(9(2)15)12(16)14(10)17(6,7)13(3,4)5/h8-11,15H,1H2,2-7H3
InChIKeyWBXHDSCHWQKGCU-UHFFFAOYSA-N
XLogP2.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one (CID 13219686) is 1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one is C=CC1C(C(C)O)C(=O)N1[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one?
The InChIKey is WBXHDSCHWQKGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2Si/c1-8-10-11(9(2)15)12(16)14(10)17(6,7)13(3,4)5/h8-11,15H,1H2,2-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one?
1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one has a molecular weight of 255.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one is sourced from PubChem (CID 13219686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).