1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one

C26H37NO2Si — CID 18464817

IUPAC1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCC1(Cc2ccccc2)CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C26H37NO2Si/c1-25(2,3)30(4,5)29-19-17-26(20-22-12-8-6-9-13-22)16-18-27(24(26)28)21-23-14-10-7-11-15-23/h6-15H,16-21H2,1-5H3
InChIKeyGOYDNODTRWUFBR-UHFFFAOYSA-N
MW423.67 g/mol
LogP6.06
Rot. Bonds8

About 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one

1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one (PubChem CID 18464817) has the molecular formula C26H37NO2Si and a molecular weight of 423.67 g/mol. Its IUPAC name is 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one
PubChem CID18464817
Molecular FormulaC26H37NO2Si
Molecular Weight423.67 g/mol
Exact Mass423.26
IUPAC Name1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCC1(Cc2ccccc2)CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C26H37NO2Si/c1-25(2,3)30(4,5)29-19-17-26(20-22-12-8-6-9-13-22)16-18-27(24(26)28)21-23-14-10-7-11-15-23/h6-15H,16-21H2,1-5H3
InChIKeyGOYDNODTRWUFBR-UHFFFAOYSA-N
XLogP6.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.67
LogP ≤ 56.06
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 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one (CID 18464817) is 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OCCC1(Cc2ccccc2)CCN(Cc2ccccc2)C1=O.
What is the InChIKey of 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one?
The InChIKey is GOYDNODTRWUFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2Si/c1-25(2,3)30(4,5)29-19-17-26(20-22-12-8-6-9-13-22)16-18-27(24(26)28)21-23-14-10-7-11-15-23/h6-15H,16-21H2,1-5H3.
What are the key properties of 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one?
1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one has a molecular weight of 423.67 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 18464817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).