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

C20H32FNO2Si — CID 22712520

IUPAC5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)butyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC(CCC1CCC(=O)N1)Cc1ccc(F)cc1
InChIInChI=1S/C20H32FNO2Si/c1-20(2,3)25(4,5)24-18(12-10-17-11-13-19(23)22-17)14-15-6-8-16(21)9-7-15/h6-9,17-18H,10-14H2,1-5H3,(H,22,23)
InChIKeyHVGRUOYWJYOTDJ-UHFFFAOYSA-N
MW365.57 g/mol
LogP4.82
Rot. Bonds7

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

5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)butyl]pyrrolidin-2-one (PubChem CID 22712520) 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-(4-fluorophenyl)butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)butyl]pyrrolidin-2-one
PubChem CID22712520
Molecular FormulaC20H32FNO2Si
Molecular Weight365.57 g/mol
Exact Mass365.22
IUPAC Name5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)butyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC(CCC1CCC(=O)N1)Cc1ccc(F)cc1
InChIInChI=1S/C20H32FNO2Si/c1-20(2,3)25(4,5)24-18(12-10-17-11-13-19(23)22-17)14-15-6-8-16(21)9-7-15/h6-9,17-18H,10-14H2,1-5H3,(H,22,23)
InChIKeyHVGRUOYWJYOTDJ-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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Frequently Asked Questions

What is the IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)butyl]pyrrolidin-2-one?
The IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)butyl]pyrrolidin-2-one (CID 22712520) is 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)butyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)butyl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)butyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OC(CCC1CCC(=O)N1)Cc1ccc(F)cc1.
What is the InChIKey of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)butyl]pyrrolidin-2-one?
The InChIKey is HVGRUOYWJYOTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FNO2Si/c1-20(2,3)25(4,5)24-18(12-10-17-11-13-19(23)22-17)14-15-6-8-16(21)9-7-15/h6-9,17-18H,10-14H2,1-5H3,(H,22,23).
What are the key properties of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)butyl]pyrrolidin-2-one?
5-[3-[tert-butyl(dimethyl)silyl]oxy-4-(4-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-(4-fluorophenyl)butyl]pyrrolidin-2-one is sourced from PubChem (CID 22712520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).