indole-5,5-diol

C8H7NO2 — CID 68530239

IUPACindole-5,5-diol
SMILESOC1(O)C=CC2=NC=CC2=C1
InChIInChI=1S/C8H7NO2/c10-8(11)3-1-7-6(5-8)2-4-9-7/h1-5,10-11H
InChIKeyTXPHUBLMHSXEGZ-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.13
Rot. Bonds

About indole-5,5-diol

indole-5,5-diol (PubChem CID 68530239) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is indole-5,5-diol.

Molecular Properties

Compound Nameindole-5,5-diol
PubChem CID68530239
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Nameindole-5,5-diol
SMILESOC1(O)C=CC2=NC=CC2=C1
InChIInChI=1S/C8H7NO2/c10-8(11)3-1-7-6(5-8)2-4-9-7/h1-5,10-11H
InChIKeyTXPHUBLMHSXEGZ-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
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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Related Compounds

Indole-6(2h)-one
CID 148548351
Indol-3a-ol
CID 163203728
2H-indol-5-ol
CID 20822990
7H-indol-5-ol
CID 97295155
6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol
CID 126733806
3-Methylindole-5,5-diol
CID 130274969
5-Methoxyindol-5-ol
CID 139796111
Indole-2,2-diol
CID 152590009
Indole-6,6-diol
CID 153788618
4H-quinolin-4-id-7-ol;tungsten
CID 155694724
1-Benzazocin-3-ol
CID 177734640
Carbazole-2,2-diol
CID 11593628

Frequently Asked Questions

What is the IUPAC name of indole-5,5-diol?
The IUPAC name of indole-5,5-diol (CID 68530239) is indole-5,5-diol.
What is the SMILES notation for indole-5,5-diol?
The canonical SMILES for indole-5,5-diol is OC1(O)C=CC2=NC=CC2=C1.
What is the InChIKey of indole-5,5-diol?
The InChIKey is TXPHUBLMHSXEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-8(11)3-1-7-6(5-8)2-4-9-7/h1-5,10-11H.
What are the key properties of indole-5,5-diol?
indole-5,5-diol has a molecular weight of 149.15 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for indole-5,5-diol is sourced from PubChem (CID 68530239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).