(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one

C28H33NO2Si — CID 11070292

IUPAC(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1CCC(=O)N1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO2Si/c1-28(2,3)32(25-15-9-5-10-16-25,26-17-11-6-12-18-26)31-22-24-19-20-27(30)29(24)21-23-13-7-4-8-14-23/h4-18,24H,19-22H2,1-3H3/t24-/m0/s1
InChIKeyOXFKAXZLFHKXJZ-DEOSSOPVSA-N
MW443.66 g/mol
LogP4.75
Rot. Bonds7

About (5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one

(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one (PubChem CID 11070292) has the molecular formula C28H33NO2Si and a molecular weight of 443.66 g/mol. Its IUPAC name is (5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
PubChem CID11070292
Molecular FormulaC28H33NO2Si
Molecular Weight443.66 g/mol
Exact Mass443.23
IUPAC Name(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1CCC(=O)N1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO2Si/c1-28(2,3)32(25-15-9-5-10-16-25,26-17-11-6-12-18-26)31-22-24-19-20-27(30)29(24)21-23-13-7-4-8-14-23/h4-18,24H,19-22H2,1-3H3/t24-/m0/s1
InChIKeyOXFKAXZLFHKXJZ-DEOSSOPVSA-N
XLogP4.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.66
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one
CID 175835341
(5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one
CID 11746118
(2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde
CID 11068016
(4S)-3-[(4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 11260848
(3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one
CID 15853429
[(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane
CID 46873547
(2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide
CID 56953832
(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methylpyrrolidin-2-one
CID 134863976
(4S)-3-[(3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 135022739
(4S,5S)-1-benzyl-4-(tert-butyl-fluoro-phenylsilyl)oxy-5-phenylpyrrolidin-2-one
CID 11525174
(3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one
CID 101170041
(3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one
CID 101170042

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one (CID 11070292) is (5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one is CC(C)(C)[Si](OC[C@@H]1CCC(=O)N1Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one?
The InChIKey is OXFKAXZLFHKXJZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H33NO2Si/c1-28(2,3)32(25-15-9-5-10-16-25,26-17-11-6-12-18-26)31-22-24-19-20-27(30)29(24)21-23-13-7-4-8-14-23/h4-18,24H,19-22H2,1-3H3/t24-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one?
(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one has a molecular weight of 443.66 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 11070292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).