1-[tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one

C12H25NOSi — CID 58897841

IUPAC1-[tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one
SMILESCC(C)C1CC(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NOSi/c1-9(2)10-8-11(14)13(10)15(6,7)12(3,4)5/h9-10H,8H2,1-7H3
InChIKeyGTYYHZMQFNQXAN-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.25
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one

1-[tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one (PubChem CID 58897841) has the molecular formula C12H25NOSi and a molecular weight of 227.42 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one
PubChem CID58897841
Molecular FormulaC12H25NOSi
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name1-[tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one
SMILESCC(C)C1CC(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NOSi/c1-9(2)10-8-11(14)13(10)15(6,7)12(3,4)5/h9-10H,8H2,1-7H3
InChIKeyGTYYHZMQFNQXAN-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one (CID 58897841) is 1-[tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one is CC(C)C1CC(=O)N1[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one?
The InChIKey is GTYYHZMQFNQXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOSi/c1-9(2)10-8-11(14)13(10)15(6,7)12(3,4)5/h9-10H,8H2,1-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one?
1-[tert-butyl(dimethyl)silyl]-4-propan-2-ylazetidin-2-one has a molecular weight of 227.42 g/mol, XLogP of 3.25, 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-propan-2-ylazetidin-2-one is sourced from PubChem (CID 58897841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).