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

C20H33NO2Si — CID 12970085

IUPAC5-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC(CCC1CCC(=O)N1)Cc1ccccc1
InChIInChI=1S/C20H33NO2Si/c1-20(2,3)24(4,5)23-18(15-16-9-7-6-8-10-16)13-11-17-12-14-19(22)21-17/h6-10,17-18H,11-15H2,1-5H3,(H,21,22)
InChIKeyTXZWDQOLYJCSFG-UHFFFAOYSA-N
MW347.58 g/mol
LogP4.68
Rot. Bonds7

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

5-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]pyrrolidin-2-one (PubChem CID 12970085) has the molecular formula C20H33NO2Si and a molecular weight of 347.58 g/mol. Its IUPAC name is 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]pyrrolidin-2-one
PubChem CID12970085
Molecular FormulaC20H33NO2Si
Molecular Weight347.58 g/mol
Exact Mass347.23
IUPAC Name5-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC(CCC1CCC(=O)N1)Cc1ccccc1
InChIInChI=1S/C20H33NO2Si/c1-20(2,3)24(4,5)23-18(15-16-9-7-6-8-10-16)13-11-17-12-14-19(22)21-17/h6-10,17-18H,11-15H2,1-5H3,(H,21,22)
InChIKeyTXZWDQOLYJCSFG-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.58
LogP ≤ 54.68
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-phenylbutyl]pyrrolidin-2-one?
The IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]pyrrolidin-2-one (CID 12970085) is 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OC(CCC1CCC(=O)N1)Cc1ccccc1.
What is the InChIKey of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]pyrrolidin-2-one?
The InChIKey is TXZWDQOLYJCSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2Si/c1-20(2,3)24(4,5)23-18(15-16-9-7-6-8-10-16)13-11-17-12-14-19(22)21-17/h6-10,17-18H,11-15H2,1-5H3,(H,21,22).
What are the key properties of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]pyrrolidin-2-one?
5-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]pyrrolidin-2-one has a molecular weight of 347.58 g/mol, XLogP of 4.68, 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-phenylbutyl]pyrrolidin-2-one is sourced from PubChem (CID 12970085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).