4-[methyl(triphenylsilyl)amino]oxetan-2-one

C22H21NO2Si — CID 89421940

IUPAC4-[methyl(triphenylsilyl)amino]oxetan-2-one
SMILESCN(C1CC(=O)O1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2Si/c1-23(21-17-22(24)25-21)26(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3
InChIKeyKEWZTJKCLDUNPB-UHFFFAOYSA-N
MW359.50 g/mol
LogP1.86
Rot. Bonds5

About 4-[methyl(triphenylsilyl)amino]oxetan-2-one

4-[methyl(triphenylsilyl)amino]oxetan-2-one (PubChem CID 89421940) has the molecular formula C22H21NO2Si and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-[methyl(triphenylsilyl)amino]oxetan-2-one.

Molecular Properties

Compound Name4-[methyl(triphenylsilyl)amino]oxetan-2-one
PubChem CID89421940
Molecular FormulaC22H21NO2Si
Molecular Weight359.50 g/mol
Exact Mass359.13
IUPAC Name4-[methyl(triphenylsilyl)amino]oxetan-2-one
SMILESCN(C1CC(=O)O1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2Si/c1-23(21-17-22(24)25-21)26(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3
InChIKeyKEWZTJKCLDUNPB-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(triphenylsilyl)amino]oxetan-2-one?
The IUPAC name of 4-[methyl(triphenylsilyl)amino]oxetan-2-one (CID 89421940) is 4-[methyl(triphenylsilyl)amino]oxetan-2-one.
What is the SMILES notation for 4-[methyl(triphenylsilyl)amino]oxetan-2-one?
The canonical SMILES for 4-[methyl(triphenylsilyl)amino]oxetan-2-one is CN(C1CC(=O)O1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[methyl(triphenylsilyl)amino]oxetan-2-one?
The InChIKey is KEWZTJKCLDUNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2Si/c1-23(21-17-22(24)25-21)26(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3.
What are the key properties of 4-[methyl(triphenylsilyl)amino]oxetan-2-one?
4-[methyl(triphenylsilyl)amino]oxetan-2-one has a molecular weight of 359.50 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(triphenylsilyl)amino]oxetan-2-one is sourced from PubChem (CID 89421940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).