1-(5-azido-2-methylphenyl)pyrrole

C11H10N4 — CID 151611091

IUPAC1-(5-azido-2-methylphenyl)pyrrole
SMILESCc1ccc(N=[N+]=[N-])cc1-n1cccc1
InChIInChI=1S/C11H10N4/c1-9-4-5-10(13-14-12)8-11(9)15-6-2-3-7-15/h2-8H,1H3
InChIKeyQMMVYWNOUJLYAE-UHFFFAOYSA-N
MW198.23 g/mol
LogP3.73
Rot. Bonds2

About 1-(5-azido-2-methylphenyl)pyrrole

1-(5-azido-2-methylphenyl)pyrrole (PubChem CID 151611091) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-(5-azido-2-methylphenyl)pyrrole.

Molecular Properties

Compound Name1-(5-azido-2-methylphenyl)pyrrole
PubChem CID151611091
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name1-(5-azido-2-methylphenyl)pyrrole
SMILESCc1ccc(N=[N+]=[N-])cc1-n1cccc1
InChIInChI=1S/C11H10N4/c1-9-4-5-10(13-14-12)8-11(9)15-6-2-3-7-15/h2-8H,1H3
InChIKeyQMMVYWNOUJLYAE-UHFFFAOYSA-N
XLogP3.73
TPSA53.69 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 53.73
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'}

Analyze 1-(5-azido-2-methylphenyl)pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-azido-2-methylphenyl)pyrrole?
The IUPAC name of 1-(5-azido-2-methylphenyl)pyrrole (CID 151611091) is 1-(5-azido-2-methylphenyl)pyrrole.
What is the SMILES notation for 1-(5-azido-2-methylphenyl)pyrrole?
The canonical SMILES for 1-(5-azido-2-methylphenyl)pyrrole is Cc1ccc(N=[N+]=[N-])cc1-n1cccc1.
What is the InChIKey of 1-(5-azido-2-methylphenyl)pyrrole?
The InChIKey is QMMVYWNOUJLYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-9-4-5-10(13-14-12)8-11(9)15-6-2-3-7-15/h2-8H,1H3.
What are the key properties of 1-(5-azido-2-methylphenyl)pyrrole?
1-(5-azido-2-methylphenyl)pyrrole has a molecular weight of 198.23 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azido-2-methylphenyl)pyrrole is sourced from PubChem (CID 151611091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).