5-[tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one

C29H35NO2Si — CID 139660328

IUPAC5-[tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one
SMILESCc1ccc(C[Si](Cc2ccc(C)cc2)(Cc2ccc(C)cc2)OCC2CCC(=O)N2)cc1
InChIInChI=1S/C29H35NO2Si/c1-22-4-10-25(11-5-22)19-33(20-26-12-6-23(2)7-13-26,21-27-14-8-24(3)9-15-27)32-18-28-16-17-29(31)30-28/h4-15,28H,16-21H2,1-3H3,(H,30,31)
InChIKeyHNAXJAFGGUSPSA-UHFFFAOYSA-N
MW457.69 g/mol
LogP5.50
Rot. Bonds9

About 5-[tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one

5-[tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one (PubChem CID 139660328) has the molecular formula C29H35NO2Si and a molecular weight of 457.69 g/mol. Its IUPAC name is 5-[tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one
PubChem CID139660328
Molecular FormulaC29H35NO2Si
Molecular Weight457.69 g/mol
Exact Mass457.24
IUPAC Name5-[tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one
SMILESCc1ccc(C[Si](Cc2ccc(C)cc2)(Cc2ccc(C)cc2)OCC2CCC(=O)N2)cc1
InChIInChI=1S/C29H35NO2Si/c1-22-4-10-25(11-5-22)19-33(20-26-12-6-23(2)7-13-26,21-27-14-8-24(3)9-15-27)32-18-28-16-17-29(31)30-28/h4-15,28H,16-21H2,1-3H3,(H,30,31)
InChIKeyHNAXJAFGGUSPSA-UHFFFAOYSA-N
XLogP5.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.69
LogP ≤ 55.50
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
(3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one
CID 10768172
(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 11070292
(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
CID 45103028
(3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one
CID 101170042
5-(tert-Butyldiphenylsiloxymethyl)pyrrolidine-2-one
CID 58011546
5-(Triphenylsilyloxymethyl)pyrrolidin-2-one
CID 139660304
(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one
CID 140721821
(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one
CID 140823774
(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one
CID 151268860
3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one
CID 156857865

Frequently Asked Questions

What is the IUPAC name of 5-[tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one?
The IUPAC name of 5-[tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one (CID 139660328) is 5-[tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one?
The canonical SMILES for 5-[tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one is Cc1ccc(C[Si](Cc2ccc(C)cc2)(Cc2ccc(C)cc2)OCC2CCC(=O)N2)cc1.
What is the InChIKey of 5-[tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one?
The InChIKey is HNAXJAFGGUSPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO2Si/c1-22-4-10-25(11-5-22)19-33(20-26-12-6-23(2)7-13-26,21-27-14-8-24(3)9-15-27)32-18-28-16-17-29(31)30-28/h4-15,28H,16-21H2,1-3H3,(H,30,31).
What are the key properties of 5-[tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one?
5-[tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one has a molecular weight of 457.69 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 139660328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).