1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione

C11H17NO2Si — CID 134872238

IUPAC1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione
SMILESC[Si](C)(C)C#CCCN1C(=O)CCC1=O
InChIInChI=1S/C11H17NO2Si/c1-15(2,3)9-5-4-8-12-10(13)6-7-11(12)14/h4,6-8H2,1-3H3
InChIKeyBERFXTYGNCJMKH-UHFFFAOYSA-N
MW223.35 g/mol
LogP1.41
Rot. Bonds2

About 1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione

1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione (PubChem CID 134872238) has the molecular formula C11H17NO2Si and a molecular weight of 223.35 g/mol. Its IUPAC name is 1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione
PubChem CID134872238
Molecular FormulaC11H17NO2Si
Molecular Weight223.35 g/mol
Exact Mass223.10
IUPAC Name1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione
SMILESC[Si](C)(C)C#CCCN1C(=O)CCC1=O
InChIInChI=1S/C11H17NO2Si/c1-15(2,3)9-5-4-8-12-10(13)6-7-11(12)14/h4,6-8H2,1-3H3
InChIKeyBERFXTYGNCJMKH-UHFFFAOYSA-N
XLogP1.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.35
LogP ≤ 51.41
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione (CID 134872238) is 1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione is C[Si](C)(C)C#CCCN1C(=O)CCC1=O.
What is the InChIKey of 1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione?
The InChIKey is BERFXTYGNCJMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2Si/c1-15(2,3)9-5-4-8-12-10(13)6-7-11(12)14/h4,6-8H2,1-3H3.
What are the key properties of 1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione?
1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione has a molecular weight of 223.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-trimethylsilylbut-3-ynyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 134872238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).