3-benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one

C28H33NOSi — CID 163364526

IUPAC3-benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one
SMILESC[Si](CC(CC(=O)N1CCCC1)Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NOSi/c1-31(26-15-7-3-8-16-26,27-17-9-4-10-18-27)23-25(21-24-13-5-2-6-14-24)22-28(30)29-19-11-12-20-29/h2-10,13-18,25H,11-12,19-23H2,1H3
InChIKeyZOUPNCAZVOBMRG-UHFFFAOYSA-N
MW427.66 g/mol
LogP4.75
Rot. Bonds8

About 3-benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one

3-benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 163364526) has the molecular formula C28H33NOSi and a molecular weight of 427.66 g/mol. Its IUPAC name is 3-benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name3-benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one
PubChem CID163364526
Molecular FormulaC28H33NOSi
Molecular Weight427.66 g/mol
Exact Mass427.23
IUPAC Name3-benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one
SMILESC[Si](CC(CC(=O)N1CCCC1)Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NOSi/c1-31(26-15-7-3-8-16-26,27-17-9-4-10-18-27)23-25(21-24-13-5-2-6-14-24)22-28(30)29-19-11-12-20-29/h2-10,13-18,25H,11-12,19-23H2,1H3
InChIKeyZOUPNCAZVOBMRG-UHFFFAOYSA-N
XLogP4.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.66
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 3-benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one (CID 163364526) is 3-benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 3-benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 3-benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one is C[Si](CC(CC(=O)N1CCCC1)Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is ZOUPNCAZVOBMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NOSi/c1-31(26-15-7-3-8-16-26,27-17-9-4-10-18-27)23-25(21-24-13-5-2-6-14-24)22-28(30)29-19-11-12-20-29/h2-10,13-18,25H,11-12,19-23H2,1H3.
What are the key properties of 3-benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one?
3-benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 427.66 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-[methyl(diphenyl)silyl]-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 163364526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).