1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione

C17H27NO2Si2 — CID 10544651

IUPAC1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione
SMILESC[Si](C)(C)C1C(=O)N(Cc2ccccc2)C(=O)C1[Si](C)(C)C
InChIInChI=1S/C17H27NO2Si2/c1-21(2,3)14-15(22(4,5)6)17(20)18(16(14)19)12-13-10-8-7-9-11-13/h7-11,14-15H,12H2,1-6H3
InChIKeyOBFWSKNIZDEVPV-UHFFFAOYSA-N
MW333.58 g/mol
LogP3.97
Rot. Bonds4

About 1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione

1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione (PubChem CID 10544651) has the molecular formula C17H27NO2Si2 and a molecular weight of 333.58 g/mol. Its IUPAC name is 1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione
PubChem CID10544651
Molecular FormulaC17H27NO2Si2
Molecular Weight333.58 g/mol
Exact Mass333.16
IUPAC Name1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione
SMILESC[Si](C)(C)C1C(=O)N(Cc2ccccc2)C(=O)C1[Si](C)(C)C
InChIInChI=1S/C17H27NO2Si2/c1-21(2,3)14-15(22(4,5)6)17(20)18(16(14)19)12-13-10-8-7-9-11-13/h7-11,14-15H,12H2,1-6H3
InChIKeyOBFWSKNIZDEVPV-UHFFFAOYSA-N
XLogP3.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.58
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione (CID 10544651) is 1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione is C[Si](C)(C)C1C(=O)N(Cc2ccccc2)C(=O)C1[Si](C)(C)C.
What is the InChIKey of 1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione?
The InChIKey is OBFWSKNIZDEVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2Si2/c1-21(2,3)14-15(22(4,5)6)17(20)18(16(14)19)12-13-10-8-7-9-11-13/h7-11,14-15H,12H2,1-6H3.
What are the key properties of 1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione?
1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione has a molecular weight of 333.58 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 10544651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).