4-benzyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one

C19H31NO2Si — CID 18464945

IUPAC4-benzyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCC1(Cc2ccccc2)CNC(=O)C1
InChIInChI=1S/C19H31NO2Si/c1-18(2,3)23(4,5)22-12-11-19(14-17(21)20-15-19)13-16-9-7-6-8-10-16/h6-10H,11-15H2,1-5H3,(H,20,21)
InChIKeySWIKTIQOPWSICD-UHFFFAOYSA-N
MW333.55 g/mol
LogP4.15
Rot. Bonds6

About 4-benzyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one

4-benzyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one (PubChem CID 18464945) has the molecular formula C19H31NO2Si and a molecular weight of 333.55 g/mol. Its IUPAC name is 4-benzyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-benzyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one
PubChem CID18464945
Molecular FormulaC19H31NO2Si
Molecular Weight333.55 g/mol
Exact Mass333.21
IUPAC Name4-benzyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCC1(Cc2ccccc2)CNC(=O)C1
InChIInChI=1S/C19H31NO2Si/c1-18(2,3)23(4,5)22-12-11-19(14-17(21)20-15-19)13-16-9-7-6-8-10-16/h6-10H,11-15H2,1-5H3,(H,20,21)
InChIKeySWIKTIQOPWSICD-UHFFFAOYSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 54.15
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 4-benzyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-benzyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one (CID 18464945) is 4-benzyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-benzyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-benzyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OCCC1(Cc2ccccc2)CNC(=O)C1.
What is the InChIKey of 4-benzyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one?
The InChIKey is SWIKTIQOPWSICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2Si/c1-18(2,3)23(4,5)22-12-11-19(14-17(21)20-15-19)13-16-9-7-6-8-10-16/h6-10H,11-15H2,1-5H3,(H,20,21).
What are the key properties of 4-benzyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one?
4-benzyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one has a molecular weight of 333.55 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 18464945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).