1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one

C11H15NO2S — CID 82175881

IUPAC1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one
SMILESCCN1CC(C(O)c2cccs2)CC1=O
InChIInChI=1S/C11H15NO2S/c1-2-12-7-8(6-10(12)13)11(14)9-4-3-5-15-9/h3-5,8,11,14H,2,6-7H2,1H3
InChIKeyHFNPPGKFDWJYPL-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.65
Rot. Bonds3

About 1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one

1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one (PubChem CID 82175881) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one
PubChem CID82175881
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one
SMILESCCN1CC(C(O)c2cccs2)CC1=O
InChIInChI=1S/C11H15NO2S/c1-2-12-7-8(6-10(12)13)11(14)9-4-3-5-15-9/h3-5,8,11,14H,2,6-7H2,1H3
InChIKeyHFNPPGKFDWJYPL-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one (CID 82175881) is 1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one is CCN1CC(C(O)c2cccs2)CC1=O.
What is the InChIKey of 1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is HFNPPGKFDWJYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-2-12-7-8(6-10(12)13)11(14)9-4-3-5-15-9/h3-5,8,11,14H,2,6-7H2,1H3.
What are the key properties of 1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one?
1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 225.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 82175881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).