cyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate

C13H19NO2 — CID 25094742

IUPACcyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
SMILESO=C(OC1CC=CC1)C1CC2CNCC2C1
InChIInChI=1S/C13H19NO2/c15-13(16-12-3-1-2-4-12)9-5-10-7-14-8-11(10)6-9/h1-2,9-12,14H,3-8H2
InChIKeyOUHPTNAJSBGPQF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.49
Rot. Bonds2

About cyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate

cyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate (PubChem CID 25094742) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is cyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate.

Molecular Properties

Compound Namecyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
PubChem CID25094742
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namecyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
SMILESO=C(OC1CC=CC1)C1CC2CNCC2C1
InChIInChI=1S/C13H19NO2/c15-13(16-12-3-1-2-4-12)9-5-10-7-14-8-11(10)6-9/h1-2,9-12,14H,3-8H2
InChIKeyOUHPTNAJSBGPQF-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-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 cyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate?
The IUPAC name of cyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate (CID 25094742) is cyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate.
What is the SMILES notation for cyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate?
The canonical SMILES for cyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate is O=C(OC1CC=CC1)C1CC2CNCC2C1.
What is the InChIKey of cyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate?
The InChIKey is OUHPTNAJSBGPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-13(16-12-3-1-2-4-12)9-5-10-7-14-8-11(10)6-9/h1-2,9-12,14H,3-8H2.
What are the key properties of cyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate?
cyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate has a molecular weight of 221.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate is sourced from PubChem (CID 25094742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).