(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C18H25F3N2O4Si — CID 11177568

IUPAC(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CCC(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O4Si/c1-17(2,3)28(4,5)27-11-13-7-9-16(24)22(13)12-6-8-15(23(25)26)14(10-12)18(19,20)21/h6,8,10,13H,7,9,11H2,1-5H3/t13-/m1/s1
InChIKeyWAAXEUYYTRVBEU-CYBMUJFWSA-N
MW418.49 g/mol
LogP5.13
Rot. Bonds5

About (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one

(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 11177568) has the molecular formula C18H25F3N2O4Si and a molecular weight of 418.49 g/mol. Its IUPAC name is (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID11177568
Molecular FormulaC18H25F3N2O4Si
Molecular Weight418.49 g/mol
Exact Mass418.15
IUPAC Name(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CCC(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O4Si/c1-17(2,3)28(4,5)27-11-13-7-9-16(24)22(13)12-6-8-15(23(25)26)14(10-12)18(19,20)21/h6,8,10,13H,7,9,11H2,1-5H3/t13-/m1/s1
InChIKeyWAAXEUYYTRVBEU-CYBMUJFWSA-N
XLogP5.13
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
(S)-1-(2-(aminomethyl)-5-fluorophenyl)-5-((tert-butyldimethylsilyloxy)methyl)pyrrolidin-2-one
CID 68890276
CID 69520185
CID 69520185
tert-butyl-dimethyl-[[(2R)-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]silane
CID 69520188
CID 69520189
CID 69520189
CID 69521050
CID 69521050
Tert-butyl-dimethyl-[[1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]silane
CID 77665933
CID 77666139
CID 77666139

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 11177568) is (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OC[C@H]1CCC(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1.
What is the InChIKey of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is WAAXEUYYTRVBEU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25F3N2O4Si/c1-17(2,3)28(4,5)27-11-13-7-9-16(24)22(13)12-6-8-15(23(25)26)14(10-12)18(19,20)21/h6,8,10,13H,7,9,11H2,1-5H3/t13-/m1/s1.
What are the key properties of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 418.49 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 11177568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).