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

C9H9NO2 — CID 119090717

IUPAC5-hydroxy-2,3-dihydroindole-1-carbaldehyde
SMILESO=CN1CCc2cc(O)ccc21
InChIInChI=1S/C9H9NO2/c11-6-10-4-3-7-5-8(12)1-2-9(7)10/h1-2,5-6,12H,3-4H2
InChIKeyPMDAGXFOCIMFRU-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.91
Rot. Bonds1

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

5-hydroxy-2,3-dihydroindole-1-carbaldehyde (PubChem CID 119090717) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-hydroxy-2,3-dihydroindole-1-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2,3-dihydroindole-1-carbaldehyde
PubChem CID119090717
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name5-hydroxy-2,3-dihydroindole-1-carbaldehyde
SMILESO=CN1CCc2cc(O)ccc21
InChIInChI=1S/C9H9NO2/c11-6-10-4-3-7-5-8(12)1-2-9(7)10/h1-2,5-6,12H,3-4H2
InChIKeyPMDAGXFOCIMFRU-UHFFFAOYSA-N
XLogP0.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,3-dihydroindole-1-carbaldehyde?
The IUPAC name of 5-hydroxy-2,3-dihydroindole-1-carbaldehyde (CID 119090717) is 5-hydroxy-2,3-dihydroindole-1-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2,3-dihydroindole-1-carbaldehyde?
The canonical SMILES for 5-hydroxy-2,3-dihydroindole-1-carbaldehyde is O=CN1CCc2cc(O)ccc21.
What is the InChIKey of 5-hydroxy-2,3-dihydroindole-1-carbaldehyde?
The InChIKey is PMDAGXFOCIMFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-6-10-4-3-7-5-8(12)1-2-9(7)10/h1-2,5-6,12H,3-4H2.
What are the key properties of 5-hydroxy-2,3-dihydroindole-1-carbaldehyde?
5-hydroxy-2,3-dihydroindole-1-carbaldehyde has a molecular weight of 163.18 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,3-dihydroindole-1-carbaldehyde is sourced from PubChem (CID 119090717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).