ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate

C12H15NO3S — CID 54941372

IUPACethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C12H15NO3S/c1-2-16-12(15)9-5-3-7-13(9)11(14)10-6-4-8-17-10/h4,6,8-9H,2-3,5,7H2,1H3
InChIKeyDBYZFIVYXHZYAU-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.92
Rot. Bonds3

About ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate

ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 54941372) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID54941372
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Nameethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C12H15NO3S/c1-2-16-12(15)9-5-3-7-13(9)11(14)10-6-4-8-17-10/h4,6,8-9H,2-3,5,7H2,1H3
InChIKeyDBYZFIVYXHZYAU-UHFFFAOYSA-N
XLogP1.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-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 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate (CID 54941372) is ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)c1cccs1.
What is the InChIKey of ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is DBYZFIVYXHZYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-2-16-12(15)9-5-3-7-13(9)11(14)10-6-4-8-17-10/h4,6,8-9H,2-3,5,7H2,1H3.
What are the key properties of ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate?
ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 253.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 54941372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).