5-benzyl-3-butyl-3-trimethylsilylpyrrolidin-2-one

C18H29NOSi — CID 3024935

IUPAC5-benzyl-3-butyl-3-trimethylsilylpyrrolidin-2-one
SMILESCCCCC1([Si](C)(C)C)CC(Cc2ccccc2)NC1=O
InChIInChI=1S/C18H29NOSi/c1-5-6-12-18(21(2,3)4)14-16(19-17(18)20)13-15-10-8-7-9-11-15/h7-11,16H,5-6,12-14H2,1-4H3,(H,19,20)
InChIKeyJPKZHEICWPULJF-UHFFFAOYSA-N
MW303.52 g/mol
LogP4.39
Rot. Bonds6

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

5-benzyl-3-butyl-3-trimethylsilylpyrrolidin-2-one (PubChem CID 3024935) has the molecular formula C18H29NOSi and a molecular weight of 303.52 g/mol. Its IUPAC name is 5-benzyl-3-butyl-3-trimethylsilylpyrrolidin-2-one.

Molecular Properties

Compound Name5-benzyl-3-butyl-3-trimethylsilylpyrrolidin-2-one
PubChem CID3024935
Molecular FormulaC18H29NOSi
Molecular Weight303.52 g/mol
Exact Mass303.20
IUPAC Name5-benzyl-3-butyl-3-trimethylsilylpyrrolidin-2-one
SMILESCCCCC1([Si](C)(C)C)CC(Cc2ccccc2)NC1=O
InChIInChI=1S/C18H29NOSi/c1-5-6-12-18(21(2,3)4)14-16(19-17(18)20)13-15-10-8-7-9-11-15/h7-11,16H,5-6,12-14H2,1-4H3,(H,19,20)
InChIKeyJPKZHEICWPULJF-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.52
LogP ≤ 54.39
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-butyl-3-trimethylsilylpyrrolidin-2-one?
The IUPAC name of 5-benzyl-3-butyl-3-trimethylsilylpyrrolidin-2-one (CID 3024935) is 5-benzyl-3-butyl-3-trimethylsilylpyrrolidin-2-one.
What is the SMILES notation for 5-benzyl-3-butyl-3-trimethylsilylpyrrolidin-2-one?
The canonical SMILES for 5-benzyl-3-butyl-3-trimethylsilylpyrrolidin-2-one is CCCCC1([Si](C)(C)C)CC(Cc2ccccc2)NC1=O.
What is the InChIKey of 5-benzyl-3-butyl-3-trimethylsilylpyrrolidin-2-one?
The InChIKey is JPKZHEICWPULJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOSi/c1-5-6-12-18(21(2,3)4)14-16(19-17(18)20)13-15-10-8-7-9-11-15/h7-11,16H,5-6,12-14H2,1-4H3,(H,19,20).
What are the key properties of 5-benzyl-3-butyl-3-trimethylsilylpyrrolidin-2-one?
5-benzyl-3-butyl-3-trimethylsilylpyrrolidin-2-one has a molecular weight of 303.52 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-butyl-3-trimethylsilylpyrrolidin-2-one is sourced from PubChem (CID 3024935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).