2-hydroxyindole-1-carbaldehyde

C9H7NO2 — CID 57004350

IUPAC2-hydroxyindole-1-carbaldehyde
SMILESO=Cn1c(O)cc2ccccc21
InChIInChI=1S/C9H7NO2/c11-6-10-8-4-2-1-3-7(8)5-9(10)12/h1-6,12H
InChIKeyWCNNUNBNNDCPGM-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.39
Rot. Bonds1

About 2-hydroxyindole-1-carbaldehyde

2-hydroxyindole-1-carbaldehyde (PubChem CID 57004350) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-hydroxyindole-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxyindole-1-carbaldehyde
PubChem CID57004350
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name2-hydroxyindole-1-carbaldehyde
SMILESO=Cn1c(O)cc2ccccc21
InChIInChI=1S/C9H7NO2/c11-6-10-8-4-2-1-3-7(8)5-9(10)12/h1-6,12H
InChIKeyWCNNUNBNNDCPGM-UHFFFAOYSA-N
XLogP1.39
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyindole-1-carbaldehyde?
The IUPAC name of 2-hydroxyindole-1-carbaldehyde (CID 57004350) is 2-hydroxyindole-1-carbaldehyde.
What is the SMILES notation for 2-hydroxyindole-1-carbaldehyde?
The canonical SMILES for 2-hydroxyindole-1-carbaldehyde is O=Cn1c(O)cc2ccccc21.
What is the InChIKey of 2-hydroxyindole-1-carbaldehyde?
The InChIKey is WCNNUNBNNDCPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-6-10-8-4-2-1-3-7(8)5-9(10)12/h1-6,12H.
What are the key properties of 2-hydroxyindole-1-carbaldehyde?
2-hydroxyindole-1-carbaldehyde has a molecular weight of 161.16 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyindole-1-carbaldehyde is sourced from PubChem (CID 57004350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).