ethyl 3H-cyclopenta[c]thiophene-3-carboxylate

C10H10O2S — CID 172806487

IUPACethyl 3H-cyclopenta[c]thiophene-3-carboxylate
SMILESCCOC(=O)C1SC=C2C=CC=C21
InChIInChI=1S/C10H10O2S/c1-2-12-10(11)9-8-5-3-4-7(8)6-13-9/h3-6,9H,2H2,1H3
InChIKeyROUYSJJWMBZBEC-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.05
Rot. Bonds2

About ethyl 3H-cyclopenta[c]thiophene-3-carboxylate

ethyl 3H-cyclopenta[c]thiophene-3-carboxylate (PubChem CID 172806487) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is ethyl 3H-cyclopenta[c]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 3H-cyclopenta[c]thiophene-3-carboxylate
PubChem CID172806487
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Nameethyl 3H-cyclopenta[c]thiophene-3-carboxylate
SMILESCCOC(=O)C1SC=C2C=CC=C21
InChIInChI=1S/C10H10O2S/c1-2-12-10(11)9-8-5-3-4-7(8)6-13-9/h3-6,9H,2H2,1H3
InChIKeyROUYSJJWMBZBEC-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3H-cyclopenta[c]thiophene-3-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 3H-cyclopenta[c]thiophene-3-carboxylate?
The IUPAC name of ethyl 3H-cyclopenta[c]thiophene-3-carboxylate (CID 172806487) is ethyl 3H-cyclopenta[c]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 3H-cyclopenta[c]thiophene-3-carboxylate?
The canonical SMILES for ethyl 3H-cyclopenta[c]thiophene-3-carboxylate is CCOC(=O)C1SC=C2C=CC=C21.
What is the InChIKey of ethyl 3H-cyclopenta[c]thiophene-3-carboxylate?
The InChIKey is ROUYSJJWMBZBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-2-12-10(11)9-8-5-3-4-7(8)6-13-9/h3-6,9H,2H2,1H3.
What are the key properties of ethyl 3H-cyclopenta[c]thiophene-3-carboxylate?
ethyl 3H-cyclopenta[c]thiophene-3-carboxylate has a molecular weight of 194.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3H-cyclopenta[c]thiophene-3-carboxylate is sourced from PubChem (CID 172806487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).