(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

C18H26F3NO2Si — CID 11349313

IUPAC(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H26F3NO2Si/c1-17(2,3)25(4,5)24-12-15-10-11-16(23)22(15)14-8-6-13(7-9-14)18(19,20)21/h6-9,15H,10-12H2,1-5H3/t15-/m0/s1
InChIKeyUYUGASRNHOYUNS-HNNXBMFYSA-N
MW373.49 g/mol
LogP5.22
Rot. Bonds4

About (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 11349313) has the molecular formula C18H26F3NO2Si and a molecular weight of 373.49 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID11349313
Molecular FormulaC18H26F3NO2Si
Molecular Weight373.49 g/mol
Exact Mass373.17
IUPAC Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H26F3NO2Si/c1-17(2,3)25(4,5)24-12-15-10-11-16(23)22(15)14-8-6-13(7-9-14)18(19,20)21/h6-9,15H,10-12H2,1-5H3/t15-/m0/s1
InChIKeyUYUGASRNHOYUNS-HNNXBMFYSA-N
XLogP5.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.49
LogP ≤ 55.22
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

1-[4-(Trifluoromethyl)phenyl]-5-methylpyrrolidine-2-one
CID 117884759
2-[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]-4-fluorobenzonitrile
CID 21070038
1-[2-(Aminomethyl)-5-fluorophenyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
CID 21070045
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethynyl-5-fluorophenyl)pyrrolidin-2-one
CID 58703936
2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]-4-fluorobenzonitrile
CID 58777370
2-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]-4-fluorobenzonitrile
CID 58777380
1-[4-(Difluoromethyl)phenyl]-5-methylpyrrolidin-2-one
CID 67953784
(S)-1-(2-(aminomethyl)-5-fluorophenyl)-5-((tert-butyldimethylsilyloxy)methyl)pyrrolidin-2-one
CID 68890276
4-[(5R)-2-oxo-5-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 87281114
4-[2-Oxo-5-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 88564104
(6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-[4-methyl-3-(trifluoromethyl)phenyl]-5-azaspiro[2.4]heptan-4-one
CID 89469222
1-(4-Fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one
CID 90933961

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 11349313) is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is UYUGASRNHOYUNS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26F3NO2Si/c1-17(2,3)25(4,5)24-12-15-10-11-16(23)22(15)14-8-6-13(7-9-14)18(19,20)21/h6-9,15H,10-12H2,1-5H3/t15-/m0/s1.
What are the key properties of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 373.49 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 11349313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).