ethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate

C11H15NO2S — CID 61073801

IUPACethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1c1ccsc1
InChIInChI=1S/C11H15NO2S/c1-2-14-11(13)12-6-3-4-10(12)9-5-7-15-8-9/h5,7-8,10H,2-4,6H2,1H3
InChIKeyKHJWSAILDCXUJC-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.04
Rot. Bonds2

About ethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate

ethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate (PubChem CID 61073801) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is ethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate
PubChem CID61073801
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Nameethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1c1ccsc1
InChIInChI=1S/C11H15NO2S/c1-2-14-11(13)12-6-3-4-10(12)9-5-7-15-8-9/h5,7-8,10H,2-4,6H2,1H3
InChIKeyKHJWSAILDCXUJC-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate 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 ethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate (CID 61073801) is ethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate is CCOC(=O)N1CCCC1c1ccsc1.
What is the InChIKey of ethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate?
The InChIKey is KHJWSAILDCXUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-2-14-11(13)12-6-3-4-10(12)9-5-7-15-8-9/h5,7-8,10H,2-4,6H2,1H3.
What are the key properties of ethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate?
ethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 61073801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).