6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde

C10H11NO2 — CID 82599331

IUPAC6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde
SMILESCN1CCc2cc(C=O)c(O)cc21
InChIInChI=1S/C10H11NO2/c1-11-3-2-7-4-8(6-12)10(13)5-9(7)11/h4-6,13H,2-3H2,1H3
InChIKeyJGBTYLPOFPHBHN-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.20
Rot. Bonds1

About 6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde

6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde (PubChem CID 82599331) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde
PubChem CID82599331
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde
SMILESCN1CCc2cc(C=O)c(O)cc21
InChIInChI=1S/C10H11NO2/c1-11-3-2-7-4-8(6-12)10(13)5-9(7)11/h4-6,13H,2-3H2,1H3
InChIKeyJGBTYLPOFPHBHN-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde 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 6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde?
The IUPAC name of 6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde (CID 82599331) is 6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde.
What is the SMILES notation for 6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde?
The canonical SMILES for 6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde is CN1CCc2cc(C=O)c(O)cc21.
What is the InChIKey of 6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde?
The InChIKey is JGBTYLPOFPHBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-11-3-2-7-4-8(6-12)10(13)5-9(7)11/h4-6,13H,2-3H2,1H3.
What are the key properties of 6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde?
6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde has a molecular weight of 177.20 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde is sourced from PubChem (CID 82599331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).