5-hydroxy-3,4-dihydroisoquinoline-1-carbaldehyde

C10H9NO2 — CID 174775581

IUPAC5-hydroxy-3,4-dihydroisoquinoline-1-carbaldehyde
SMILESO=CC1=NCCc2c(O)cccc21
InChIInChI=1S/C10H9NO2/c12-6-9-7-2-1-3-10(13)8(7)4-5-11-9/h1-3,6,13H,4-5H2
InChIKeyWIBIJEFJUIIDBM-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.94
Rot. Bonds1

About 5-hydroxy-3,4-dihydroisoquinoline-1-carbaldehyde

5-hydroxy-3,4-dihydroisoquinoline-1-carbaldehyde (PubChem CID 174775581) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-hydroxy-3,4-dihydroisoquinoline-1-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-3,4-dihydroisoquinoline-1-carbaldehyde
PubChem CID174775581
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name5-hydroxy-3,4-dihydroisoquinoline-1-carbaldehyde
SMILESO=CC1=NCCc2c(O)cccc21
InChIInChI=1S/C10H9NO2/c12-6-9-7-2-1-3-10(13)8(7)4-5-11-9/h1-3,6,13H,4-5H2
InChIKeyWIBIJEFJUIIDBM-UHFFFAOYSA-N
XLogP0.94
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-hydroxy-3,4-dihydroisoquinoline-1-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 5-hydroxy-3,4-dihydroisoquinoline-1-carbaldehyde?
The IUPAC name of 5-hydroxy-3,4-dihydroisoquinoline-1-carbaldehyde (CID 174775581) is 5-hydroxy-3,4-dihydroisoquinoline-1-carbaldehyde.
What is the SMILES notation for 5-hydroxy-3,4-dihydroisoquinoline-1-carbaldehyde?
The canonical SMILES for 5-hydroxy-3,4-dihydroisoquinoline-1-carbaldehyde is O=CC1=NCCc2c(O)cccc21.
What is the InChIKey of 5-hydroxy-3,4-dihydroisoquinoline-1-carbaldehyde?
The InChIKey is WIBIJEFJUIIDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-6-9-7-2-1-3-10(13)8(7)4-5-11-9/h1-3,6,13H,4-5H2.
What are the key properties of 5-hydroxy-3,4-dihydroisoquinoline-1-carbaldehyde?
5-hydroxy-3,4-dihydroisoquinoline-1-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,4-dihydroisoquinoline-1-carbaldehyde is sourced from PubChem (CID 174775581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).