5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde

C14H13NO2 — CID 169333519

IUPAC5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc3c2CNCC3)o1
InChIInChI=1S/C14H13NO2/c16-9-11-4-5-14(17-11)12-3-1-2-10-6-7-15-8-13(10)12/h1-5,9,15H,6-8H2
InChIKeyHIZRJVXWIGPNIZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.40
Rot. Bonds2

About 5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde

5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde (PubChem CID 169333519) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde
PubChem CID169333519
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc3c2CNCC3)o1
InChIInChI=1S/C14H13NO2/c16-9-11-4-5-14(17-11)12-3-1-2-10-6-7-15-8-13(10)12/h1-5,9,15H,6-8H2
InChIKeyHIZRJVXWIGPNIZ-UHFFFAOYSA-N
XLogP2.40
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-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-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde (CID 169333519) is 5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde is O=Cc1ccc(-c2cccc3c2CNCC3)o1.
What is the InChIKey of 5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde?
The InChIKey is HIZRJVXWIGPNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-9-11-4-5-14(17-11)12-3-1-2-10-6-7-15-8-13(10)12/h1-5,9,15H,6-8H2.
What are the key properties of 5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde?
5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde has a molecular weight of 227.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde is sourced from PubChem (CID 169333519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).