phenyl(3H-pyrrol-2-yl)diazene

C10H9N3 — CID 59767389

IUPACphenyl(3H-pyrrol-2-yl)diazene
SMILESC1=CN=C(/N=N/c2ccccc2)C1
InChIInChI=1S/C10H9N3/c1-2-5-9(6-3-1)12-13-10-7-4-8-11-10/h1-6,8H,7H2/b13-12+
InChIKeyKZHXPCBOOPPMEA-OUKQBFOZSA-N
MW171.20 g/mol
LogP3.09
Rot. Bonds1

About phenyl(3H-pyrrol-2-yl)diazene

phenyl(3H-pyrrol-2-yl)diazene (PubChem CID 59767389) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is phenyl(3H-pyrrol-2-yl)diazene.

Molecular Properties

Compound Namephenyl(3H-pyrrol-2-yl)diazene
PubChem CID59767389
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Namephenyl(3H-pyrrol-2-yl)diazene
SMILESC1=CN=C(/N=N/c2ccccc2)C1
InChIInChI=1S/C10H9N3/c1-2-5-9(6-3-1)12-13-10-7-4-8-11-10/h1-6,8H,7H2/b13-12+
InChIKeyKZHXPCBOOPPMEA-OUKQBFOZSA-N
XLogP3.09
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl(3H-pyrrol-2-yl)diazene?
The IUPAC name of phenyl(3H-pyrrol-2-yl)diazene (CID 59767389) is phenyl(3H-pyrrol-2-yl)diazene.
What is the SMILES notation for phenyl(3H-pyrrol-2-yl)diazene?
The canonical SMILES for phenyl(3H-pyrrol-2-yl)diazene is C1=CN=C(/N=N/c2ccccc2)C1.
What is the InChIKey of phenyl(3H-pyrrol-2-yl)diazene?
The InChIKey is KZHXPCBOOPPMEA-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-5-9(6-3-1)12-13-10-7-4-8-11-10/h1-6,8H,7H2/b13-12+.
What are the key properties of phenyl(3H-pyrrol-2-yl)diazene?
phenyl(3H-pyrrol-2-yl)diazene has a molecular weight of 171.20 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(3H-pyrrol-2-yl)diazene is sourced from PubChem (CID 59767389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).