ethyl cyclopenta[c]pyrrole-3-carboxylate;hydrochloride

C10H10ClNO2 — CID 141442153

IUPACethyl cyclopenta[c]pyrrole-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1=NC=C2C=CC=C21.Cl
InChIInChI=1S/C10H9NO2.ClH/c1-2-13-10(12)9-8-5-3-4-7(8)6-11-9;/h3-6H,2H2,1H3;1H
InChIKeyZXKGGGVAEJNBGL-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.81
Rot. Bonds2

About ethyl cyclopenta[c]pyrrole-3-carboxylate;hydrochloride

ethyl cyclopenta[c]pyrrole-3-carboxylate;hydrochloride (PubChem CID 141442153) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is ethyl cyclopenta[c]pyrrole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl cyclopenta[c]pyrrole-3-carboxylate;hydrochloride
PubChem CID141442153
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Nameethyl cyclopenta[c]pyrrole-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1=NC=C2C=CC=C21.Cl
InChIInChI=1S/C10H9NO2.ClH/c1-2-13-10(12)9-8-5-3-4-7(8)6-11-9;/h3-6H,2H2,1H3;1H
InChIKeyZXKGGGVAEJNBGL-UHFFFAOYSA-N
XLogP1.81
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl cyclopenta[c]pyrrole-3-carboxylate;hydrochloride?
The IUPAC name of ethyl cyclopenta[c]pyrrole-3-carboxylate;hydrochloride (CID 141442153) is ethyl cyclopenta[c]pyrrole-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl cyclopenta[c]pyrrole-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl cyclopenta[c]pyrrole-3-carboxylate;hydrochloride is CCOC(=O)C1=NC=C2C=CC=C21.Cl.
What is the InChIKey of ethyl cyclopenta[c]pyrrole-3-carboxylate;hydrochloride?
The InChIKey is ZXKGGGVAEJNBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.ClH/c1-2-13-10(12)9-8-5-3-4-7(8)6-11-9;/h3-6H,2H2,1H3;1H.
What are the key properties of ethyl cyclopenta[c]pyrrole-3-carboxylate;hydrochloride?
ethyl cyclopenta[c]pyrrole-3-carboxylate;hydrochloride has a molecular weight of 211.65 g/mol, XLogP of 1.81, 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;hydrochloride is sourced from PubChem (CID 141442153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).