indole-2,2-diol

C8H7NO2 — CID 152590009

IUPACindole-2,2-diol
SMILESOC1(O)C=c2ccccc2=N1
InChIInChI=1S/C8H7NO2/c10-8(11)5-6-3-1-2-4-7(6)9-8/h1-5,10-11H
InChIKeyYVGYYCOYQCXJCE-UHFFFAOYSA-N
MW149.15 g/mol
LogP-1.26
Rot. Bonds

About indole-2,2-diol

indole-2,2-diol (PubChem CID 152590009) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is indole-2,2-diol.

Molecular Properties

Compound Nameindole-2,2-diol
PubChem CID152590009
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Nameindole-2,2-diol
SMILESOC1(O)C=c2ccccc2=N1
InChIInChI=1S/C8H7NO2/c10-8(11)5-6-3-1-2-4-7(6)9-8/h1-5,10-11H
InChIKeyYVGYYCOYQCXJCE-UHFFFAOYSA-N
XLogP-1.26
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 ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of indole-2,2-diol?
The IUPAC name of indole-2,2-diol (CID 152590009) is indole-2,2-diol.
What is the SMILES notation for indole-2,2-diol?
The canonical SMILES for indole-2,2-diol is OC1(O)C=c2ccccc2=N1.
What is the InChIKey of indole-2,2-diol?
The InChIKey is YVGYYCOYQCXJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-8(11)5-6-3-1-2-4-7(6)9-8/h1-5,10-11H.
What are the key properties of indole-2,2-diol?
indole-2,2-diol has a molecular weight of 149.15 g/mol, XLogP of -1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for indole-2,2-diol is sourced from PubChem (CID 152590009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).