(3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one

C21H35NO2Si — CID 162416997

IUPAC(3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C21H35NO2Si/c1-21(2,3)25(4,5)24-16-10-9-13-19-14-15-22(20(19)23)17-18-11-7-6-8-12-18/h6-8,11-12,19H,9-10,13-17H2,1-5H3/t19-/m0/s1
InChIKeyFSDTUORFRBCDSY-IBGZPJMESA-N
MW361.60 g/mol
LogP5.23
Rot. Bonds8

About (3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one

(3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one (PubChem CID 162416997) has the molecular formula C21H35NO2Si and a molecular weight of 361.60 g/mol. Its IUPAC name is (3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one
PubChem CID162416997
Molecular FormulaC21H35NO2Si
Molecular Weight361.60 g/mol
Exact Mass361.24
IUPAC Name(3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C21H35NO2Si/c1-21(2,3)25(4,5)24-16-10-9-13-19-14-15-22(20(19)23)17-18-11-7-6-8-12-18/h6-8,11-12,19H,9-10,13-17H2,1-5H3/t19-/m0/s1
InChIKeyFSDTUORFRBCDSY-IBGZPJMESA-N
XLogP5.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.60
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Pyrrolidinone, 5-(heptyloxy)-1-(phenylmethyl)-, (+-)-
CID 3077964
1-Benzyl-5-(decyloxy)pyrrolidin-2-one
CID 3077976
1-[4-[Tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-1-(4-phenylphenyl)butyl]pyrrolidin-2-one
CID 177849892
(3R*,4S*,5R*)-5-allyl-1-benzyl-3,4-bis(tert-butyldimethylsilyloxy)-2-pyrrolidinone
CID 10412681
3-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 18464463
(3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 54444544
1-((S)-alpha-methylbenzyl)-3-(4-fluorophenylmethyl)-3-(2-(t-butyldimethylsilyloxy)ethyl)-2-oxopyrrolidine
CID 54444545
1-((R)-alpha-methylbenzyl)-3-(4-fluorophenylmethyl)-3-(2-(t-butyldimethylsilyloxy)ethyl)-2-oxopyrrolidine
CID 54444546
N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
CID 11177945
1-Benzyl-5-ethoxy-3-(5-trimethylsilylpent-3-ynyl)pyrrolidin-2-one
CID 13258743
(3S,4S,5R)-1-benzyl-4-[dimethyl(phenyl)silyl]-3,5-dimethylpyrrolidin-2-one
CID 15853429
(4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpyrrolidin-2-one
CID 101212310

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one?
The IUPAC name of (3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one (CID 162416997) is (3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OCCCC[C@H]1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of (3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one?
The InChIKey is FSDTUORFRBCDSY-IBGZPJMESA-N. The full InChI is InChI=1S/C21H35NO2Si/c1-21(2,3)25(4,5)24-16-10-9-13-19-14-15-22(20(19)23)17-18-11-7-6-8-12-18/h6-8,11-12,19H,9-10,13-17H2,1-5H3/t19-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one?
(3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one has a molecular weight of 361.60 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one is sourced from PubChem (CID 162416997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).