2-(5-hydroxy-1H-indol-2-yl)acetaldehyde

C10H9NO2 — CID 22134437

IUPAC2-(5-hydroxy-1H-indol-2-yl)acetaldehyde
SMILESO=CCc1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C10H9NO2/c12-4-3-8-5-7-6-9(13)1-2-10(7)11-8/h1-2,4-6,11,13H,3H2
InChIKeyCVANVGGCJAVFQS-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.61
Rot. Bonds2

About 2-(5-hydroxy-1H-indol-2-yl)acetaldehyde

2-(5-hydroxy-1H-indol-2-yl)acetaldehyde (PubChem CID 22134437) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(5-hydroxy-1H-indol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-hydroxy-1H-indol-2-yl)acetaldehyde
PubChem CID22134437
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-(5-hydroxy-1H-indol-2-yl)acetaldehyde
SMILESO=CCc1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C10H9NO2/c12-4-3-8-5-7-6-9(13)1-2-10(7)11-8/h1-2,4-6,11,13H,3H2
InChIKeyCVANVGGCJAVFQS-UHFFFAOYSA-N
XLogP1.61
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-hydroxy-1H-indol-2-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1H-indol-2-yl)acetaldehyde?
The IUPAC name of 2-(5-hydroxy-1H-indol-2-yl)acetaldehyde (CID 22134437) is 2-(5-hydroxy-1H-indol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-hydroxy-1H-indol-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-hydroxy-1H-indol-2-yl)acetaldehyde is O=CCc1cc2cc(O)ccc2[nH]1.
What is the InChIKey of 2-(5-hydroxy-1H-indol-2-yl)acetaldehyde?
The InChIKey is CVANVGGCJAVFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-4-3-8-5-7-6-9(13)1-2-10(7)11-8/h1-2,4-6,11,13H,3H2.
What are the key properties of 2-(5-hydroxy-1H-indol-2-yl)acetaldehyde?
2-(5-hydroxy-1H-indol-2-yl)acetaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-1H-indol-2-yl)acetaldehyde is sourced from PubChem (CID 22134437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).