1-[tert-butyl(dimethyl)silyl]-4-prop-2-ynylazetidin-2-one

C12H21NOSi — CID 13305369

IUPAC1-[tert-butyl(dimethyl)silyl]-4-prop-2-ynylazetidin-2-one
SMILESC#CCC1CC(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H21NOSi/c1-7-8-10-9-11(14)13(10)15(5,6)12(2,3)4/h1,10H,8-9H2,2-6H3
InChIKeyPHBVGXNQMSYBJM-UHFFFAOYSA-N
MW223.39 g/mol
LogP2.62
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]-4-prop-2-ynylazetidin-2-one

1-[tert-butyl(dimethyl)silyl]-4-prop-2-ynylazetidin-2-one (PubChem CID 13305369) has the molecular formula C12H21NOSi and a molecular weight of 223.39 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-4-prop-2-ynylazetidin-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-4-prop-2-ynylazetidin-2-one
PubChem CID13305369
Molecular FormulaC12H21NOSi
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Name1-[tert-butyl(dimethyl)silyl]-4-prop-2-ynylazetidin-2-one
SMILESC#CCC1CC(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H21NOSi/c1-7-8-10-9-11(14)13(10)15(5,6)12(2,3)4/h1,10H,8-9H2,2-6H3
InChIKeyPHBVGXNQMSYBJM-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
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 1-[tert-butyl(dimethyl)silyl]-4-prop-2-ynylazetidin-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-prop-2-ynylazetidin-2-one (CID 13305369) is 1-[tert-butyl(dimethyl)silyl]-4-prop-2-ynylazetidin-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-4-prop-2-ynylazetidin-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-4-prop-2-ynylazetidin-2-one is C#CCC1CC(=O)N1[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-4-prop-2-ynylazetidin-2-one?
The InChIKey is PHBVGXNQMSYBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOSi/c1-7-8-10-9-11(14)13(10)15(5,6)12(2,3)4/h1,10H,8-9H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-4-prop-2-ynylazetidin-2-one?
1-[tert-butyl(dimethyl)silyl]-4-prop-2-ynylazetidin-2-one has a molecular weight of 223.39 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-4-prop-2-ynylazetidin-2-one is sourced from PubChem (CID 13305369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).