2-diazopyrrole

C4H3N3 — CID 57254912

IUPAC2-diazopyrrole
SMILES[N-]=[N+]=C1C=CC=N1
InChIInChI=1S/C4H3N3/c5-7-4-2-1-3-6-4/h1-3H
InChIKeyZXFWQRRQKYBTQV-UHFFFAOYSA-N
MW93.09 g/mol
LogP0.26
Rot. Bonds

About 2-diazopyrrole

2-diazopyrrole (PubChem CID 57254912) has the molecular formula C4H3N3 and a molecular weight of 93.09 g/mol. Its IUPAC name is 2-diazopyrrole.

Molecular Properties

Compound Name2-diazopyrrole
PubChem CID57254912
Molecular FormulaC4H3N3
Molecular Weight93.09 g/mol
Exact Mass93.03
IUPAC Name2-diazopyrrole
SMILES[N-]=[N+]=C1C=CC=N1
InChIInChI=1S/C4H3N3/c5-7-4-2-1-3-6-4/h1-3H
InChIKeyZXFWQRRQKYBTQV-UHFFFAOYSA-N
XLogP0.26
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors
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 ≤ 100

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 2-diazopyrrole?
The IUPAC name of 2-diazopyrrole (CID 57254912) is 2-diazopyrrole.
What is the SMILES notation for 2-diazopyrrole?
The canonical SMILES for 2-diazopyrrole is [N-]=[N+]=C1C=CC=N1.
What is the InChIKey of 2-diazopyrrole?
The InChIKey is ZXFWQRRQKYBTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3/c5-7-4-2-1-3-6-4/h1-3H.
What are the key properties of 2-diazopyrrole?
2-diazopyrrole has a molecular weight of 93.09 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazopyrrole is sourced from PubChem (CID 57254912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).