3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one

C27H38FNO2Si — CID 18464463

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CCC(CCO[Si](C)(C)C(C)(C)C)(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C27H38FNO2Si/c1-21(23-10-8-7-9-11-23)29-18-16-27(25(29)30,20-22-12-14-24(28)15-13-22)17-19-31-32(5,6)26(2,3)4/h7-15,21H,16-20H2,1-6H3
InChIKeyWQOLFUDSGDDBBS-UHFFFAOYSA-N
MW455.69 g/mol
LogP6.76
Rot. Bonds8

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 18464463) has the molecular formula C27H38FNO2Si and a molecular weight of 455.69 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID18464463
Molecular FormulaC27H38FNO2Si
Molecular Weight455.69 g/mol
Exact Mass455.27
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CCC(CCO[Si](C)(C)C(C)(C)C)(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C27H38FNO2Si/c1-21(23-10-8-7-9-11-23)29-18-16-27(25(29)30,20-22-12-14-24(28)15-13-22)17-19-31-32(5,6)26(2,3)4/h7-15,21H,16-20H2,1-6H3
InChIKeyWQOLFUDSGDDBBS-UHFFFAOYSA-N
XLogP6.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.69
LogP ≤ 56.76
H-Bond Donors ≤ 50
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 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one (CID 18464463) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one is CC(c1ccccc1)N1CCC(CCO[Si](C)(C)C(C)(C)C)(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is WQOLFUDSGDDBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38FNO2Si/c1-21(23-10-8-7-9-11-23)29-18-16-27(25(29)30,20-22-12-14-24(28)15-13-22)17-19-31-32(5,6)26(2,3)4/h7-15,21H,16-20H2,1-6H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one?
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 455.69 g/mol, XLogP of 6.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 18464463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).