2-Ethylidenepyrrole

C₆H₇N — CID 54219721

About 2-Ethylidenepyrrole

2-Ethylidenepyrrole (PubChem CID 54219721) has the molecular formula C₆H₇N and a molecular weight of 93.13 g/mol. Its IUPAC name is 2-ethylidenepyrrole.

Molecular Properties

• Compound Name: 2-Ethylidenepyrrole
• PubChem CID: 54219721
• Molecular Formula: C₆H₇N
• Molecular Weight: 93.13 g/mol
• Exact Mass: 93.06
• IUPAC Name: 2-ethylidenepyrrole
• SMILES: CC=C1C=CC=N1
• InChI: InChI=1S/C6H7N/c1-2-6-4-3-5-7-6/h2-5H,1H3
• InChIKey: QBSIBWFRMTYLIT-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	93.13
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-Ethylidenepyrrole?

The IUPAC name of 2-Ethylidenepyrrole (CID 54219721) is 2-ethylidenepyrrole.

What is the SMILES notation for 2-Ethylidenepyrrole?

The canonical SMILES for 2-Ethylidenepyrrole is CC=C1C=CC=N1.

What is the InChIKey of 2-Ethylidenepyrrole?

The InChIKey is QBSIBWFRMTYLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-2-6-4-3-5-7-6/h2-5H,1H3.

What are the key properties of 2-Ethylidenepyrrole?

2-Ethylidenepyrrole has a molecular weight of 93.13 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-Ethylidenepyrrole is sourced from PubChem (CID 54219721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54219721 — identifiers, structure, computed properties (public domain)

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