4-but-3-en-2-yl-1-[tert-butyl(dimethyl)silyl]azetidin-2-one

C13H25NOSi — CID 15700144

IUPAC4-but-3-en-2-yl-1-[tert-butyl(dimethyl)silyl]azetidin-2-one
SMILESC=CC(C)C1CC(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25NOSi/c1-8-10(2)11-9-12(15)14(11)16(6,7)13(3,4)5/h8,10-11H,1,9H2,2-7H3
InChIKeyUXHIZHSGVUHVEQ-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.41
Rot. Bonds3

About 4-but-3-en-2-yl-1-[tert-butyl(dimethyl)silyl]azetidin-2-one

4-but-3-en-2-yl-1-[tert-butyl(dimethyl)silyl]azetidin-2-one (PubChem CID 15700144) has the molecular formula C13H25NOSi and a molecular weight of 239.43 g/mol. Its IUPAC name is 4-but-3-en-2-yl-1-[tert-butyl(dimethyl)silyl]azetidin-2-one.

Molecular Properties

Compound Name4-but-3-en-2-yl-1-[tert-butyl(dimethyl)silyl]azetidin-2-one
PubChem CID15700144
Molecular FormulaC13H25NOSi
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name4-but-3-en-2-yl-1-[tert-butyl(dimethyl)silyl]azetidin-2-one
SMILESC=CC(C)C1CC(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25NOSi/c1-8-10(2)11-9-12(15)14(11)16(6,7)13(3,4)5/h8,10-11H,1,9H2,2-7H3
InChIKeyUXHIZHSGVUHVEQ-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-but-3-en-2-yl-1-[tert-butyl(dimethyl)silyl]azetidin-2-one?
The IUPAC name of 4-but-3-en-2-yl-1-[tert-butyl(dimethyl)silyl]azetidin-2-one (CID 15700144) is 4-but-3-en-2-yl-1-[tert-butyl(dimethyl)silyl]azetidin-2-one.
What is the SMILES notation for 4-but-3-en-2-yl-1-[tert-butyl(dimethyl)silyl]azetidin-2-one?
The canonical SMILES for 4-but-3-en-2-yl-1-[tert-butyl(dimethyl)silyl]azetidin-2-one is C=CC(C)C1CC(=O)N1[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-but-3-en-2-yl-1-[tert-butyl(dimethyl)silyl]azetidin-2-one?
The InChIKey is UXHIZHSGVUHVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOSi/c1-8-10(2)11-9-12(15)14(11)16(6,7)13(3,4)5/h8,10-11H,1,9H2,2-7H3.
What are the key properties of 4-but-3-en-2-yl-1-[tert-butyl(dimethyl)silyl]azetidin-2-one?
4-but-3-en-2-yl-1-[tert-butyl(dimethyl)silyl]azetidin-2-one has a molecular weight of 239.43 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-en-2-yl-1-[tert-butyl(dimethyl)silyl]azetidin-2-one is sourced from PubChem (CID 15700144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).