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

C16H17NOS — CID 66103946

IUPAC5-benzyl-4-methyl-4-thiophen-2-ylpyrrolidin-2-one
SMILESCC1(c2cccs2)CC(=O)NC1Cc1ccccc1
InChIInChI=1S/C16H17NOS/c1-16(14-8-5-9-19-14)11-15(18)17-13(16)10-12-6-3-2-4-7-12/h2-9,13H,10-11H2,1H3,(H,17,18)
InChIKeyIVVATUGSGJEWKH-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.14
Rot. Bonds3

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

5-benzyl-4-methyl-4-thiophen-2-ylpyrrolidin-2-one (PubChem CID 66103946) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 5-benzyl-4-methyl-4-thiophen-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-benzyl-4-methyl-4-thiophen-2-ylpyrrolidin-2-one
PubChem CID66103946
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name5-benzyl-4-methyl-4-thiophen-2-ylpyrrolidin-2-one
SMILESCC1(c2cccs2)CC(=O)NC1Cc1ccccc1
InChIInChI=1S/C16H17NOS/c1-16(14-8-5-9-19-14)11-15(18)17-13(16)10-12-6-3-2-4-7-12/h2-9,13H,10-11H2,1H3,(H,17,18)
InChIKeyIVVATUGSGJEWKH-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-methyl-4-thiophen-2-ylpyrrolidin-2-one?
The IUPAC name of 5-benzyl-4-methyl-4-thiophen-2-ylpyrrolidin-2-one (CID 66103946) is 5-benzyl-4-methyl-4-thiophen-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-benzyl-4-methyl-4-thiophen-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-benzyl-4-methyl-4-thiophen-2-ylpyrrolidin-2-one is CC1(c2cccs2)CC(=O)NC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-methyl-4-thiophen-2-ylpyrrolidin-2-one?
The InChIKey is IVVATUGSGJEWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-16(14-8-5-9-19-14)11-15(18)17-13(16)10-12-6-3-2-4-7-12/h2-9,13H,10-11H2,1H3,(H,17,18).
What are the key properties of 5-benzyl-4-methyl-4-thiophen-2-ylpyrrolidin-2-one?
5-benzyl-4-methyl-4-thiophen-2-ylpyrrolidin-2-one has a molecular weight of 271.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-methyl-4-thiophen-2-ylpyrrolidin-2-one is sourced from PubChem (CID 66103946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).