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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Related Compounds

1-formyl-2,3-dihydroindole-5-carboxylic acid
CID 61147748
5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde
CID 82503449
1-formyl-2,3-dihydroindole-5-sulfonamide
CID 89385398
1-prop-2-enyl-2,3-dihydroindol-5-ol
CID 175212901
5,10-dioxo-2,3-dihydronaphtho[2,3-f]indole-1-carbaldehyde
CID 14376738
5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydroindole-1-carbaldehyde
CID 155660781
5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde
CID 135142567
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793
6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde
CID 89385300
N-cyclopropyl-5-hydroxy-2,3-dihydroindole-1-carboxamide
CID 153363202
5-chloro-6-pyrrolidin-1-ylsulfanyl-2,3-dihydroindole-1-carbaldehyde
CID 146176969
5-[2-[(5-methyl-2-pyridinyl)oxy]acetyl]-2,3-dihydroindole-1-carbaldehyde
CID 71915251

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).