3-Diazo-3H-pyrrole

C₄H₃N₃ — CID 71339881

About 3-Diazo-3H-pyrrole

3-Diazo-3H-pyrrole (PubChem CID 71339881) has the molecular formula C₄H₃N₃ and a molecular weight of 93.09 g/mol. Its IUPAC name is 3-diazopyrrole.

Molecular Properties

• Compound Name: 3-Diazo-3H-pyrrole
• PubChem CID: 71339881
• Molecular Formula: C₄H₃N₃
• Molecular Weight: 93.09 g/mol
• Exact Mass: 93.03
• IUPAC Name: 3-diazopyrrole
• SMILES: [N-]=[N+]=C1C=CN=C1
• InChI: InChI=1S/C4H3N3/c5-7-4-1-2-6-3-4/h1-3H
• InChIKey: UZBPDWVPLAVXOL-UHFFFAOYSA-N
• XLogP: 0.26
• TPSA: 48.76 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	93.09
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-Diazo-3H-pyrrole?

The IUPAC name of 3-Diazo-3H-pyrrole (CID 71339881) is 3-diazopyrrole.

What is the SMILES notation for 3-Diazo-3H-pyrrole?

The canonical SMILES for 3-Diazo-3H-pyrrole is [N-]=[N+]=C1C=CN=C1.

What is the InChIKey of 3-Diazo-3H-pyrrole?

The InChIKey is UZBPDWVPLAVXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3/c5-7-4-1-2-6-3-4/h1-3H.

What are the key properties of 3-Diazo-3H-pyrrole?

3-Diazo-3H-pyrrole has a molecular weight of 93.09 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-Diazo-3H-pyrrole is sourced from PubChem (CID 71339881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71339881 — identifiers, structure, computed properties (public domain)

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