1,5-dihydroxyindol-6-olate

C8H6NO3- — CID 141214938

IUPAC1,5-dihydroxyindol-6-olate
SMILES[O-]c1cc2c(ccn2O)cc1O
InChIInChI=1S/C8H7NO3/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h1-4,10-12H/p-1
InChIKeyRJCMROWGXQCQQI-UHFFFAOYSA-M
MW164.14 g/mol
LogP0.66
Rot. Bonds

About 1,5-dihydroxyindol-6-olate

1,5-dihydroxyindol-6-olate (PubChem CID 141214938) has the molecular formula C8H6NO3- and a molecular weight of 164.14 g/mol. Its IUPAC name is 1,5-dihydroxyindol-6-olate.

Molecular Properties

Compound Name1,5-dihydroxyindol-6-olate
PubChem CID141214938
Molecular FormulaC8H6NO3-
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name1,5-dihydroxyindol-6-olate
SMILES[O-]c1cc2c(ccn2O)cc1O
InChIInChI=1S/C8H7NO3/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h1-4,10-12H/p-1
InChIKeyRJCMROWGXQCQQI-UHFFFAOYSA-M
XLogP0.66
TPSA68.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroxyindol-6-olate?
The IUPAC name of 1,5-dihydroxyindol-6-olate (CID 141214938) is 1,5-dihydroxyindol-6-olate.
What is the SMILES notation for 1,5-dihydroxyindol-6-olate?
The canonical SMILES for 1,5-dihydroxyindol-6-olate is [O-]c1cc2c(ccn2O)cc1O.
What is the InChIKey of 1,5-dihydroxyindol-6-olate?
The InChIKey is RJCMROWGXQCQQI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7NO3/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h1-4,10-12H/p-1.
What are the key properties of 1,5-dihydroxyindol-6-olate?
1,5-dihydroxyindol-6-olate has a molecular weight of 164.14 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroxyindol-6-olate is sourced from PubChem (CID 141214938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).