1-(4-trimethylsilylbut-3-ynyl)pyrrolidin-2-one

C11H19NOSi — CID 12842578

IUPAC1-(4-trimethylsilylbut-3-ynyl)pyrrolidin-2-one
SMILESC[Si](C)(C)C#CCCN1CCCC1=O
InChIInChI=1S/C11H19NOSi/c1-14(2,3)10-5-4-8-12-9-6-7-11(12)13/h4,6-9H2,1-3H3
InChIKeySPUDMOMQFJVODD-UHFFFAOYSA-N
MW209.36 g/mol
LogP1.88
Rot. Bonds2

About 1-(4-trimethylsilylbut-3-ynyl)pyrrolidin-2-one

1-(4-trimethylsilylbut-3-ynyl)pyrrolidin-2-one (PubChem CID 12842578) has the molecular formula C11H19NOSi and a molecular weight of 209.36 g/mol. Its IUPAC name is 1-(4-trimethylsilylbut-3-ynyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-trimethylsilylbut-3-ynyl)pyrrolidin-2-one
PubChem CID12842578
Molecular FormulaC11H19NOSi
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name1-(4-trimethylsilylbut-3-ynyl)pyrrolidin-2-one
SMILESC[Si](C)(C)C#CCCN1CCCC1=O
InChIInChI=1S/C11H19NOSi/c1-14(2,3)10-5-4-8-12-9-6-7-11(12)13/h4,6-9H2,1-3H3
InChIKeySPUDMOMQFJVODD-UHFFFAOYSA-N
XLogP1.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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)pyrrolidin-2-one?
The IUPAC name of 1-(4-trimethylsilylbut-3-ynyl)pyrrolidin-2-one (CID 12842578) is 1-(4-trimethylsilylbut-3-ynyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-trimethylsilylbut-3-ynyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-trimethylsilylbut-3-ynyl)pyrrolidin-2-one is C[Si](C)(C)C#CCCN1CCCC1=O.
What is the InChIKey of 1-(4-trimethylsilylbut-3-ynyl)pyrrolidin-2-one?
The InChIKey is SPUDMOMQFJVODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOSi/c1-14(2,3)10-5-4-8-12-9-6-7-11(12)13/h4,6-9H2,1-3H3.
What are the key properties of 1-(4-trimethylsilylbut-3-ynyl)pyrrolidin-2-one?
1-(4-trimethylsilylbut-3-ynyl)pyrrolidin-2-one has a molecular weight of 209.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-trimethylsilylbut-3-ynyl)pyrrolidin-2-one is sourced from PubChem (CID 12842578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).