3-diazopyrrole

C4H3N3 — CID 71339881

IUPAC3-diazopyrrole
SMILES[N-]=[N+]=C1C=CN=C1
InChIInChI=1S/C4H3N3/c5-7-4-1-2-6-3-4/h1-3H
InChIKeyUZBPDWVPLAVXOL-UHFFFAOYSA-N
MW93.09 g/mol
LogP0.26
Rot. Bonds

About 3-diazopyrrole

3-diazopyrrole (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 Name3-diazopyrrole
PubChem CID71339881
Molecular FormulaC4H3N3
Molecular Weight93.09 g/mol
Exact Mass93.03
IUPAC Name3-diazopyrrole
SMILES[N-]=[N+]=C1C=CN=C1
InChIInChI=1S/C4H3N3/c5-7-4-1-2-6-3-4/h1-3H
InChIKeyUZBPDWVPLAVXOL-UHFFFAOYSA-N
XLogP0.26
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.09
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-diazopyrrole?
The IUPAC name of 3-diazopyrrole (CID 71339881) is 3-diazopyrrole.
What is the SMILES notation for 3-diazopyrrole?
The canonical SMILES for 3-diazopyrrole is [N-]=[N+]=C1C=CN=C1.
What is the InChIKey of 3-diazopyrrole?
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-diazopyrrole?
3-diazopyrrole 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-diazopyrrole is sourced from PubChem (CID 71339881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).