5-benzyl-4-thiophen-2-ylpyrrolidin-2-one

C15H15NOS — CID 66104822

IUPAC5-benzyl-4-thiophen-2-ylpyrrolidin-2-one
SMILESO=C1CC(c2cccs2)C(Cc2ccccc2)N1
InChIInChI=1S/C15H15NOS/c17-15-10-12(14-7-4-8-18-14)13(16-15)9-11-5-2-1-3-6-11/h1-8,12-13H,9-10H2,(H,16,17)
InChIKeyFOYFHEKDFSKIKW-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.96
Rot. Bonds3

About 5-benzyl-4-thiophen-2-ylpyrrolidin-2-one

5-benzyl-4-thiophen-2-ylpyrrolidin-2-one (PubChem CID 66104822) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-benzyl-4-thiophen-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-benzyl-4-thiophen-2-ylpyrrolidin-2-one
PubChem CID66104822
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name5-benzyl-4-thiophen-2-ylpyrrolidin-2-one
SMILESO=C1CC(c2cccs2)C(Cc2ccccc2)N1
InChIInChI=1S/C15H15NOS/c17-15-10-12(14-7-4-8-18-14)13(16-15)9-11-5-2-1-3-6-11/h1-8,12-13H,9-10H2,(H,16,17)
InChIKeyFOYFHEKDFSKIKW-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-thiophen-2-ylpyrrolidin-2-one?
The IUPAC name of 5-benzyl-4-thiophen-2-ylpyrrolidin-2-one (CID 66104822) is 5-benzyl-4-thiophen-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-benzyl-4-thiophen-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-benzyl-4-thiophen-2-ylpyrrolidin-2-one is O=C1CC(c2cccs2)C(Cc2ccccc2)N1.
What is the InChIKey of 5-benzyl-4-thiophen-2-ylpyrrolidin-2-one?
The InChIKey is FOYFHEKDFSKIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c17-15-10-12(14-7-4-8-18-14)13(16-15)9-11-5-2-1-3-6-11/h1-8,12-13H,9-10H2,(H,16,17).
What are the key properties of 5-benzyl-4-thiophen-2-ylpyrrolidin-2-one?
5-benzyl-4-thiophen-2-ylpyrrolidin-2-one has a molecular weight of 257.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-thiophen-2-ylpyrrolidin-2-one is sourced from PubChem (CID 66104822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).