2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide

C12H16N2O2S — CID 22387192

IUPAC2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide
SMILESCCC(C(N)=O)N1CC(c2ccsc2)CC1=O
InChIInChI=1S/C12H16N2O2S/c1-2-10(12(13)16)14-6-9(5-11(14)15)8-3-4-17-7-8/h3-4,7,9-10H,2,5-6H2,1H3,(H2,13,16)
InChIKeyKAKMXSOLJJRKLR-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.33
Rot. Bonds4

About 2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide

2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide (PubChem CID 22387192) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide
PubChem CID22387192
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide
SMILESCCC(C(N)=O)N1CC(c2ccsc2)CC1=O
InChIInChI=1S/C12H16N2O2S/c1-2-10(12(13)16)14-6-9(5-11(14)15)8-3-4-17-7-8/h3-4,7,9-10H,2,5-6H2,1H3,(H2,13,16)
InChIKeyKAKMXSOLJJRKLR-UHFFFAOYSA-N
XLogP1.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide?
The IUPAC name of 2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide (CID 22387192) is 2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for 2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide?
The canonical SMILES for 2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide is CCC(C(N)=O)N1CC(c2ccsc2)CC1=O.
What is the InChIKey of 2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide?
The InChIKey is KAKMXSOLJJRKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-10(12(13)16)14-6-9(5-11(14)15)8-3-4-17-7-8/h3-4,7,9-10H,2,5-6H2,1H3,(H2,13,16).
What are the key properties of 2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide?
2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide has a molecular weight of 252.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 22387192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).