3-diazonio-1H-indol-2-olate

C8H5N3O — CID 555022

IUPAC3-diazonio-1H-indol-2-olate
SMILESN#[N+]c1c([O-])[nH]c2ccccc12
InChIInChI=1S/C8H5N3O/c9-11-7-5-3-1-2-4-6(5)10-8(7)12/h1-4,9H
InChIKeyJUWOBCNAWKDBSM-UHFFFAOYSA-N
MW159.15 g/mol
LogP1.73
Rot. Bonds

About 3-diazonio-1H-indol-2-olate

3-diazonio-1H-indol-2-olate (PubChem CID 555022) has the molecular formula C8H5N3O and a molecular weight of 159.15 g/mol. Its IUPAC name is 3-diazonio-1H-indol-2-olate.

Molecular Properties

Compound Name3-diazonio-1H-indol-2-olate
PubChem CID555022
Molecular FormulaC8H5N3O
Molecular Weight159.15 g/mol
Exact Mass159.04
IUPAC Name3-diazonio-1H-indol-2-olate
SMILESN#[N+]c1c([O-])[nH]c2ccccc12
InChIInChI=1S/C8H5N3O/c9-11-7-5-3-1-2-4-6(5)10-8(7)12/h1-4,9H
InChIKeyJUWOBCNAWKDBSM-UHFFFAOYSA-N
XLogP1.73
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

Analyze 3-diazonio-1H-indol-2-olate with MolForge

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

Launch Full Analysis

Related Compounds

2-hydroxy-1H-indole-3-diazonium
CID 555023
2-(diethylcarbamoyl)-1H-indole-3-diazonium
CID 10752674
9H-carbazole
CID 66668984
bis(9H-carbazole);platinum(2+)
CID 175826437
9H-carbazole;copper
CID 159878189
3-pyrrolidin-1-yl-1H-indol-2-olate
CID 134860496
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
bromomethane;9H-carbazole
CID 67594562
9H-carbazole;sulfuryl dichloride
CID 158008992
2-propan-2-yl-1H-indol-3-amine
CID 166774840
5,10-dihydroindolo[3,2-b]indole;molecular hydrogen
CID 145382713

Frequently Asked Questions

What is the IUPAC name of 3-diazonio-1H-indol-2-olate?
The IUPAC name of 3-diazonio-1H-indol-2-olate (CID 555022) is 3-diazonio-1H-indol-2-olate.
What is the SMILES notation for 3-diazonio-1H-indol-2-olate?
The canonical SMILES for 3-diazonio-1H-indol-2-olate is N#[N+]c1c([O-])[nH]c2ccccc12.
What is the InChIKey of 3-diazonio-1H-indol-2-olate?
The InChIKey is JUWOBCNAWKDBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O/c9-11-7-5-3-1-2-4-6(5)10-8(7)12/h1-4,9H.
What are the key properties of 3-diazonio-1H-indol-2-olate?
3-diazonio-1H-indol-2-olate has a molecular weight of 159.15 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazonio-1H-indol-2-olate is sourced from PubChem (CID 555022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).