1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene

C16H12N4 — CID 135686964

IUPAC1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene
SMILESc1ccc(/N=N/c2c[nH]c3c2ccc2[nH]ccc23)cc1
InChIInChI=1S/C16H12N4/c1-2-4-11(5-3-1)19-20-15-10-18-16-12(15)6-7-14-13(16)8-9-17-14/h1-10,17-18H/b20-19+
InChIKeyYBOIUDLSAPEONC-FMQUCBEESA-N
MW260.30 g/mol
LogP5.06
Rot. Bonds2

About 1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene

1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene (PubChem CID 135686964) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene.

Molecular Properties

Compound Name1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene
PubChem CID135686964
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene
SMILESc1ccc(/N=N/c2c[nH]c3c2ccc2[nH]ccc23)cc1
InChIInChI=1S/C16H12N4/c1-2-4-11(5-3-1)19-20-15-10-18-16-12(15)6-7-14-13(16)8-9-17-14/h1-10,17-18H/b20-19+
InChIKeyYBOIUDLSAPEONC-FMQUCBEESA-N
XLogP5.06
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.30
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene?
The IUPAC name of 1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene (CID 135686964) is 1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene.
What is the SMILES notation for 1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene?
The canonical SMILES for 1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene is c1ccc(/N=N/c2c[nH]c3c2ccc2[nH]ccc23)cc1.
What is the InChIKey of 1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene?
The InChIKey is YBOIUDLSAPEONC-FMQUCBEESA-N. The full InChI is InChI=1S/C16H12N4/c1-2-4-11(5-3-1)19-20-15-10-18-16-12(15)6-7-14-13(16)8-9-17-14/h1-10,17-18H/b20-19+.
What are the key properties of 1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene?
1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene has a molecular weight of 260.30 g/mol, XLogP of 5.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydropyrrolo[2,3-e]indol-3-yl(phenyl)diazene is sourced from PubChem (CID 135686964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).