1H-indol-3-yl-(4-methoxyphenyl)diazene

C15H13N3O — CID 136732360

IUPAC1H-indol-3-yl-(4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C15H13N3O/c1-19-12-8-6-11(7-9-12)17-18-15-10-16-14-5-3-2-4-13(14)15/h2-10,16H,1H3/b18-17+
InChIKeyIAZSSNPSWVHHFS-ISLYRVAYSA-N
MW251.29 g/mol
LogP4.59
Rot. Bonds3

About 1H-indol-3-yl-(4-methoxyphenyl)diazene

1H-indol-3-yl-(4-methoxyphenyl)diazene (PubChem CID 136732360) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 1H-indol-3-yl-(4-methoxyphenyl)diazene.

Molecular Properties

Compound Name1H-indol-3-yl-(4-methoxyphenyl)diazene
PubChem CID136732360
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name1H-indol-3-yl-(4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C15H13N3O/c1-19-12-8-6-11(7-9-12)17-18-15-10-16-14-5-3-2-4-13(14)15/h2-10,16H,1H3/b18-17+
InChIKeyIAZSSNPSWVHHFS-ISLYRVAYSA-N
XLogP4.59
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 54.59
H-Bond Donors ≤ 51
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 1H-indol-3-yl-(4-methoxyphenyl)diazene?
The IUPAC name of 1H-indol-3-yl-(4-methoxyphenyl)diazene (CID 136732360) is 1H-indol-3-yl-(4-methoxyphenyl)diazene.
What is the SMILES notation for 1H-indol-3-yl-(4-methoxyphenyl)diazene?
The canonical SMILES for 1H-indol-3-yl-(4-methoxyphenyl)diazene is COc1ccc(/N=N/c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1H-indol-3-yl-(4-methoxyphenyl)diazene?
The InChIKey is IAZSSNPSWVHHFS-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-19-12-8-6-11(7-9-12)17-18-15-10-16-14-5-3-2-4-13(14)15/h2-10,16H,1H3/b18-17+.
What are the key properties of 1H-indol-3-yl-(4-methoxyphenyl)diazene?
1H-indol-3-yl-(4-methoxyphenyl)diazene has a molecular weight of 251.29 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(4-methoxyphenyl)diazene is sourced from PubChem (CID 136732360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).