Leiopyrrole

C₂₃H₂₈N₂O — CID 26377

About Leiopyrrole

Leiopyrrole (PubChem CID 26377) has the molecular formula C₂₃H₂₈N₂O and a molecular weight of 348.49 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(2-methyl-5-phenylpyrrol-1-yl)phenoxy]ethanamine.

Molecular Properties

• Compound Name: Leiopyrrole
• PubChem CID: 26377
• Molecular Formula: C₂₃H₂₈N₂O
• Molecular Weight: 348.49 g/mol
• Exact Mass: 348.22
• IUPAC Name: N,N-diethyl-2-[2-(2-methyl-5-phenylpyrrol-1-yl)phenoxy]ethanamine
• SMILES: CCN(CC)CCOc1ccccc1-n1c(C)ccc1-c1ccccc1
• InChI: InChI=1S/C23H28N2O/c1-4-24(5-2)17-18-26-23-14-10-9-13-22(23)25-19(3)15-16-21(25)20-11-7-6-8-12-20/h6-16H,4-5,17-18H2,1-3H3
• InChIKey: DQIUUHJEYNMMLD-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	348.49
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Leiopyrrole?

The IUPAC name of Leiopyrrole (CID 26377) is N,N-diethyl-2-[2-(2-methyl-5-phenylpyrrol-1-yl)phenoxy]ethanamine.

What is the SMILES notation for Leiopyrrole?

The canonical SMILES for Leiopyrrole is CCN(CC)CCOc1ccccc1-n1c(C)ccc1-c1ccccc1.

What is the InChIKey of Leiopyrrole?

The InChIKey is DQIUUHJEYNMMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-4-24(5-2)17-18-26-23-14-10-9-13-22(23)25-19(3)15-16-21(25)20-11-7-6-8-12-20/h6-16H,4-5,17-18H2,1-3H3.

What are the key properties of Leiopyrrole?

Leiopyrrole has a molecular weight of 348.49 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Leiopyrrole is sourced from PubChem (CID 26377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 26377 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3765 — approved-drug record (CC BY-SA 4.0)

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