4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde

C9H9NO2 — CID 117200365

IUPAC4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde
SMILESO=CC1CNc2cccc(O)c21
InChIInChI=1S/C9H9NO2/c11-5-6-4-10-7-2-1-3-8(12)9(6)7/h1-3,5-6,10,12H,4H2
InChIKeyXUXYQVMFUDMDSB-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.10
Rot. Bonds1

About 4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde

4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde (PubChem CID 117200365) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde
PubChem CID117200365
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde
SMILESO=CC1CNc2cccc(O)c21
InChIInChI=1S/C9H9NO2/c11-5-6-4-10-7-2-1-3-8(12)9(6)7/h1-3,5-6,10,12H,4H2
InChIKeyXUXYQVMFUDMDSB-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol
CID 91360819
3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol
CID 117200389
2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile
CID 162903015
2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 82276657
4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid
CID 82277350
methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate
CID 117110564
1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone
CID 90022765
3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol
CID 78358010
5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde
CID 89159810
(4S)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carbaldehyde
CID 125456605
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclobutane]-6-ol
CID 115099268
3-(hydroxymethyl)-2,3-dihydro-1H-indole-4-carbonitrile
CID 162420742

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde?
The IUPAC name of 4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde (CID 117200365) is 4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde?
The canonical SMILES for 4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde is O=CC1CNc2cccc(O)c21.
What is the InChIKey of 4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde?
The InChIKey is XUXYQVMFUDMDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-5-6-4-10-7-2-1-3-8(12)9(6)7/h1-3,5-6,10,12H,4H2.
What are the key properties of 4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde?
4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde has a molecular weight of 163.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-dihydro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 117200365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).