5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)butyl]pyrrolidin-2-one

C20H32FNO2Si — CID 12970095

IUPAC5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)butyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC(CCC1CCC(=O)N1)Cc1cccc(F)c1
InChIInChI=1S/C20H32FNO2Si/c1-20(2,3)25(4,5)24-18(11-9-17-10-12-19(23)22-17)14-15-7-6-8-16(21)13-15/h6-8,13,17-18H,9-12,14H2,1-5H3,(H,22,23)
InChIKeyNNKQTVQXEWLWJP-UHFFFAOYSA-N
MW365.57 g/mol
LogP4.82
Rot. Bonds7

About 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)butyl]pyrrolidin-2-one

5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)butyl]pyrrolidin-2-one (PubChem CID 12970095) has the molecular formula C20H32FNO2Si and a molecular weight of 365.57 g/mol. Its IUPAC name is 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)butyl]pyrrolidin-2-one
PubChem CID12970095
Molecular FormulaC20H32FNO2Si
Molecular Weight365.57 g/mol
Exact Mass365.22
IUPAC Name5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)butyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC(CCC1CCC(=O)N1)Cc1cccc(F)c1
InChIInChI=1S/C20H32FNO2Si/c1-20(2,3)25(4,5)24-18(11-9-17-10-12-19(23)22-17)14-15-7-6-8-16(21)13-15/h6-8,13,17-18H,9-12,14H2,1-5H3,(H,22,23)
InChIKeyNNKQTVQXEWLWJP-UHFFFAOYSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.57
LogP ≤ 54.82
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

N-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide
CID 155935101
(3S,3aR,7aR)-3-benzyl-3a-methyl-4-tri(propan-2-yl)silyloxy-3,6,7,7a-tetrahydro-1H-indol-2-one
CID 386831
5-[4-(3-Fluoro-phenyl)-3-hydroxy-butyl]-pyrrolidin-2-one
CID 12970094
5-[3-(Tert-butyl-dimethyl-silanyloxy)-4-(3-trifluoromethyl-phenyl)-butyl]-pyrrolidin-2-one
CID 12970098
5-(4-(4-Fluoro-phenyl)-3-hydroxy-butyl)-pyrrolidin-2-one
CID 22712447
5-[3-(Tert-butyl-dimethyl-silanyloxy)4-(4-fluoro-phenyl)-butyl]-pyrrolidin-2-one
CID 22712520
7-{2-[3-(Tert-butyl-dimethyl-silanyloxy)-4-(3-fluoro-phenyl)-butyl]-5-oxo-pyrrolidin-1-yl}-heptanenitrile
CID 22718758
7-{2-[3-(Tert-butyl-dimethyl-silanyloxy)-4-(4-fluoro-phenyl)-butyl]-5-oxo-pyrrolidin-1-yl}-heptanenitrile
CID 22718768
5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-N'-(2-hydroxyethyl)-2-methylhexanediamide
CID 23439314
5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide
CID 23439320
(5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)but-1-enyl]-1-(2-iodoethyl)pyrrolidin-2-one
CID 57893906
(5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)but-1-enyl]-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 57894055

Frequently Asked Questions

What is the IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)butyl]pyrrolidin-2-one?
The IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)butyl]pyrrolidin-2-one (CID 12970095) is 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)butyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)butyl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)butyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OC(CCC1CCC(=O)N1)Cc1cccc(F)c1.
What is the InChIKey of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)butyl]pyrrolidin-2-one?
The InChIKey is NNKQTVQXEWLWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FNO2Si/c1-20(2,3)25(4,5)24-18(11-9-17-10-12-19(23)22-17)14-15-7-6-8-16(21)13-15/h6-8,13,17-18H,9-12,14H2,1-5H3,(H,22,23).
What are the key properties of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)butyl]pyrrolidin-2-one?
5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)butyl]pyrrolidin-2-one has a molecular weight of 365.57 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)butyl]pyrrolidin-2-one is sourced from PubChem (CID 12970095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).