4-(1,3-dihydroisoindol-2-yl)benzaldehyde

C15H13NO — CID 969428

IUPAC4-(1,3-dihydroisoindol-2-yl)benzaldehyde
SMILESO=Cc1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C15H13NO/c17-11-12-5-7-15(8-6-12)16-9-13-3-1-2-4-14(13)10-16/h1-8,11H,9-10H2
InChIKeyGSAVXYHVHQTGEA-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.02
Rot. Bonds2

About 4-(1,3-dihydroisoindol-2-yl)benzaldehyde

4-(1,3-dihydroisoindol-2-yl)benzaldehyde (PubChem CID 969428) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)benzaldehyde
PubChem CID969428
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name4-(1,3-dihydroisoindol-2-yl)benzaldehyde
SMILESO=Cc1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C15H13NO/c17-11-12-5-7-15(8-6-12)16-9-13-3-1-2-4-14(13)10-16/h1-8,11H,9-10H2
InChIKeyGSAVXYHVHQTGEA-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1,3-dihydroisoindol-2-yl)benzaldehyde 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 4-(1,3-dihydroisoindol-2-yl)benzaldehyde?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)benzaldehyde (CID 969428) is 4-(1,3-dihydroisoindol-2-yl)benzaldehyde.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)benzaldehyde?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)benzaldehyde is O=Cc1ccc(N2Cc3ccccc3C2)cc1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)benzaldehyde?
The InChIKey is GSAVXYHVHQTGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c17-11-12-5-7-15(8-6-12)16-9-13-3-1-2-4-14(13)10-16/h1-8,11H,9-10H2.
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)benzaldehyde?
4-(1,3-dihydroisoindol-2-yl)benzaldehyde has a molecular weight of 223.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)benzaldehyde is sourced from PubChem (CID 969428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).