1-azidopyrrole

C4H4N4 — CID 22178184

IUPAC1-azidopyrrole
SMILES[N-]=[N+]=Nn1cccc1
InChIInChI=1S/C4H4N4/c5-6-7-8-3-1-2-4-8/h1-4H
InChIKeyYDAVMIFFBVUGNU-UHFFFAOYSA-N
MW108.10 g/mol
LogP1.56
Rot. Bonds1

About 1-azidopyrrole

1-azidopyrrole (PubChem CID 22178184) has the molecular formula C4H4N4 and a molecular weight of 108.10 g/mol. Its IUPAC name is 1-azidopyrrole.

Molecular Properties

Compound Name1-azidopyrrole
PubChem CID22178184
Molecular FormulaC4H4N4
Molecular Weight108.10 g/mol
Exact Mass108.04
IUPAC Name1-azidopyrrole
SMILES[N-]=[N+]=Nn1cccc1
InChIInChI=1S/C4H4N4/c5-6-7-8-3-1-2-4-8/h1-4H
InChIKeyYDAVMIFFBVUGNU-UHFFFAOYSA-N
XLogP1.56
TPSA53.69 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-azidopyrrole?
The IUPAC name of 1-azidopyrrole (CID 22178184) is 1-azidopyrrole.
What is the SMILES notation for 1-azidopyrrole?
The canonical SMILES for 1-azidopyrrole is [N-]=[N+]=Nn1cccc1.
What is the InChIKey of 1-azidopyrrole?
The InChIKey is YDAVMIFFBVUGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4/c5-6-7-8-3-1-2-4-8/h1-4H.
What are the key properties of 1-azidopyrrole?
1-azidopyrrole has a molecular weight of 108.10 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidopyrrole is sourced from PubChem (CID 22178184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).