2H-indole-5,6-diol

C8H7NO2 — CID 138753219

IUPAC2H-indole-5,6-diol
SMILESOc1cc2c(cc1O)=NCC=2
InChIInChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1,3-4,10-11H,2H2
InChIKeyNNZMLNDFPURMEN-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.49
Rot. Bonds

About 2H-indole-5,6-diol

2H-indole-5,6-diol (PubChem CID 138753219) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2H-indole-5,6-diol.

Molecular Properties

Compound Name2H-indole-5,6-diol
PubChem CID138753219
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name2H-indole-5,6-diol
SMILESOc1cc2c(cc1O)=NCC=2
InChIInChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1,3-4,10-11H,2H2
InChIKeyNNZMLNDFPURMEN-UHFFFAOYSA-N
XLogP-0.49
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2H-indole-5,6-diol 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

Indole-6(2h)-one
CID 148548351
2H-indol-5-ol
CID 20822990
2-methyl-2H-indol-4-ol
CID 135829455
2-Methylideneindole-5,6-diol
CID 135977810
Indole-2,2-diol
CID 152590009
2H-indol-4-ol
CID 153710230
2-hydroxy-1,2-dihydro-6H-indol-6-one
CID 176485744

Frequently Asked Questions

What is the IUPAC name of 2H-indole-5,6-diol?
The IUPAC name of 2H-indole-5,6-diol (CID 138753219) is 2H-indole-5,6-diol.
What is the SMILES notation for 2H-indole-5,6-diol?
The canonical SMILES for 2H-indole-5,6-diol is Oc1cc2c(cc1O)=NCC=2.
What is the InChIKey of 2H-indole-5,6-diol?
The InChIKey is NNZMLNDFPURMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1,3-4,10-11H,2H2.
What are the key properties of 2H-indole-5,6-diol?
2H-indole-5,6-diol has a molecular weight of 149.15 g/mol, XLogP of -0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-indole-5,6-diol is sourced from PubChem (CID 138753219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).