5-benzyl-3-trimethylsilylpyrrolidin-2-one

C14H21NOSi — CID 3024936

IUPAC5-benzyl-3-trimethylsilylpyrrolidin-2-one
SMILESC[Si](C)(C)C1CC(Cc2ccccc2)NC1=O
InChIInChI=1S/C14H21NOSi/c1-17(2,3)13-10-12(15-14(13)16)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,15,16)
InChIKeyMPSOETBNMMLLTQ-UHFFFAOYSA-N
MW247.41 g/mol
LogP2.83
Rot. Bonds3

About 5-benzyl-3-trimethylsilylpyrrolidin-2-one

5-benzyl-3-trimethylsilylpyrrolidin-2-one (PubChem CID 3024936) has the molecular formula C14H21NOSi and a molecular weight of 247.41 g/mol. Its IUPAC name is 5-benzyl-3-trimethylsilylpyrrolidin-2-one.

Molecular Properties

Compound Name5-benzyl-3-trimethylsilylpyrrolidin-2-one
PubChem CID3024936
Molecular FormulaC14H21NOSi
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name5-benzyl-3-trimethylsilylpyrrolidin-2-one
SMILESC[Si](C)(C)C1CC(Cc2ccccc2)NC1=O
InChIInChI=1S/C14H21NOSi/c1-17(2,3)13-10-12(15-14(13)16)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,15,16)
InChIKeyMPSOETBNMMLLTQ-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
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 5-benzyl-3-trimethylsilylpyrrolidin-2-one?
The IUPAC name of 5-benzyl-3-trimethylsilylpyrrolidin-2-one (CID 3024936) is 5-benzyl-3-trimethylsilylpyrrolidin-2-one.
What is the SMILES notation for 5-benzyl-3-trimethylsilylpyrrolidin-2-one?
The canonical SMILES for 5-benzyl-3-trimethylsilylpyrrolidin-2-one is C[Si](C)(C)C1CC(Cc2ccccc2)NC1=O.
What is the InChIKey of 5-benzyl-3-trimethylsilylpyrrolidin-2-one?
The InChIKey is MPSOETBNMMLLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOSi/c1-17(2,3)13-10-12(15-14(13)16)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,15,16).
What are the key properties of 5-benzyl-3-trimethylsilylpyrrolidin-2-one?
5-benzyl-3-trimethylsilylpyrrolidin-2-one has a molecular weight of 247.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-trimethylsilylpyrrolidin-2-one is sourced from PubChem (CID 3024936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).