ethyl cyclopenta[c]pyrrole-3-carboxylate

C10H9NO2 — CID 141442154

IUPACethyl cyclopenta[c]pyrrole-3-carboxylate
SMILESCCOC(=O)C1=NC=C2C=CC=C21
InChIInChI=1S/C10H9NO2/c1-2-13-10(12)9-8-5-3-4-7(8)6-11-9/h3-6H,2H2,1H3
InChIKeyPVRWDQLCTDMQFZ-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.38
Rot. Bonds2

About ethyl cyclopenta[c]pyrrole-3-carboxylate

ethyl cyclopenta[c]pyrrole-3-carboxylate (PubChem CID 141442154) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is ethyl cyclopenta[c]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl cyclopenta[c]pyrrole-3-carboxylate
PubChem CID141442154
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Nameethyl cyclopenta[c]pyrrole-3-carboxylate
SMILESCCOC(=O)C1=NC=C2C=CC=C21
InChIInChI=1S/C10H9NO2/c1-2-13-10(12)9-8-5-3-4-7(8)6-11-9/h3-6H,2H2,1H3
InChIKeyPVRWDQLCTDMQFZ-UHFFFAOYSA-N
XLogP1.38
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl cyclopenta[c]pyrrole-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 cyclopenta[c]pyrrole-3-carboxylate?
The IUPAC name of ethyl cyclopenta[c]pyrrole-3-carboxylate (CID 141442154) is ethyl cyclopenta[c]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl cyclopenta[c]pyrrole-3-carboxylate?
The canonical SMILES for ethyl cyclopenta[c]pyrrole-3-carboxylate is CCOC(=O)C1=NC=C2C=CC=C21.
What is the InChIKey of ethyl cyclopenta[c]pyrrole-3-carboxylate?
The InChIKey is PVRWDQLCTDMQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-2-13-10(12)9-8-5-3-4-7(8)6-11-9/h3-6H,2H2,1H3.
What are the key properties of ethyl cyclopenta[c]pyrrole-3-carboxylate?
ethyl cyclopenta[c]pyrrole-3-carboxylate has a molecular weight of 175.19 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl cyclopenta[c]pyrrole-3-carboxylate is sourced from PubChem (CID 141442154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).