2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate

C13H23NO4Si — CID 18422442

IUPAC2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate
SMILESCC[Si](CC)(CC)CCOC(=O)C1CC(=O)NC1=O
InChIInChI=1S/C13H23NO4Si/c1-4-19(5-2,6-3)8-7-18-13(17)10-9-11(15)14-12(10)16/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyXVZYWKXGMUMYSY-UHFFFAOYSA-N
MW285.42 g/mol
LogP1.70
Rot. Bonds7

About 2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate

2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate (PubChem CID 18422442) has the molecular formula C13H23NO4Si and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate
PubChem CID18422442
Molecular FormulaC13H23NO4Si
Molecular Weight285.42 g/mol
Exact Mass285.14
IUPAC Name2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate
SMILESCC[Si](CC)(CC)CCOC(=O)C1CC(=O)NC1=O
InChIInChI=1S/C13H23NO4Si/c1-4-19(5-2,6-3)8-7-18-13(17)10-9-11(15)14-12(10)16/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyXVZYWKXGMUMYSY-UHFFFAOYSA-N
XLogP1.70
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate?
The IUPAC name of 2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate (CID 18422442) is 2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate.
What is the SMILES notation for 2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate?
The canonical SMILES for 2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate is CC[Si](CC)(CC)CCOC(=O)C1CC(=O)NC1=O.
What is the InChIKey of 2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate?
The InChIKey is XVZYWKXGMUMYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4Si/c1-4-19(5-2,6-3)8-7-18-13(17)10-9-11(15)14-12(10)16/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate?
2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate has a molecular weight of 285.42 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triethylsilylethyl 2,5-dioxopyrrolidine-3-carboxylate is sourced from PubChem (CID 18422442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).