4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one

C21H27NO2Si — CID 164561737

IUPAC4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](OCC1CNC(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-16-17-14-20(23)22-15-17/h4-13,17H,14-16H2,1-3H3,(H,22,23)
InChIKeyHCACFRBSEIAXDM-UHFFFAOYSA-N
MW353.54 g/mol
LogP2.70
Rot. Bonds5

About 4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one

4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one (PubChem CID 164561737) has the molecular formula C21H27NO2Si and a molecular weight of 353.54 g/mol. Its IUPAC name is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
PubChem CID164561737
Molecular FormulaC21H27NO2Si
Molecular Weight353.54 g/mol
Exact Mass353.18
IUPAC Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](OCC1CNC(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-16-17-14-20(23)22-15-17/h4-13,17H,14-16H2,1-3H3,(H,22,23)
InChIKeyHCACFRBSEIAXDM-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)pyrrolidin-2-one
CID 10882735
(5R)-5-[(tert-Butyldiphenylsilyloxy)methyl]pyrrolidine-2-one
CID 10948196
(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
CID 45103028
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[dimethyl(phenyl)silyl]-3,4-dimethylpyrrolidin-2-one
CID 102184859
(3r)-3-[t-Butyl(diphenyl)silyloxy]-5-hydroxy-4,4-dimethylpyrrolidin-2-one
CID 129758526
(3R,4R)-3-(((tert-Butyldiphenylsilyl)oxy)methyl)-4-fluoropyrrolidine
CID 170905036
Tert-butyl-diphenyl-(pyrrolidin-3-ylmethoxy)silane
CID 15931207
(4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-one
CID 16742491
N-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propyl]-2-methylbutanamide
CID 20652817
5-(tert-Butyldiphenylsiloxymethyl)pyrrolidine-2-one
CID 58011546
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-hydroxybutanamide
CID 69025615
4-[Tert-butyl(diphenyl)silyl]oxypyrrolidin-2-one
CID 73318327

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one (CID 164561737) is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one is CC(C)(C)[Si](OCC1CNC(=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one?
The InChIKey is HCACFRBSEIAXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-16-17-14-20(23)22-15-17/h4-13,17H,14-16H2,1-3H3,(H,22,23).
What are the key properties of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one?
4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one has a molecular weight of 353.54 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 164561737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).