2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione

C16H9NO2 — CID 19733884

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1=Cc2ccccc21
InChIInChI=1S/C16H9NO2/c18-15-12-7-3-4-8-13(12)16(19)17(15)14-9-10-5-1-2-6-11(10)14/h1-9H
InChIKeyIZDWOKQVZIJWDB-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.79
Rot. Bonds1

About 2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione

2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione (PubChem CID 19733884) has the molecular formula C16H9NO2 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione
PubChem CID19733884
Molecular FormulaC16H9NO2
Molecular Weight247.25 g/mol
Exact Mass247.06
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1=Cc2ccccc21
InChIInChI=1S/C16H9NO2/c18-15-12-7-3-4-8-13(12)16(19)17(15)14-9-10-5-1-2-6-11(10)14/h1-9H
InChIKeyIZDWOKQVZIJWDB-UHFFFAOYSA-N
XLogP2.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione (CID 19733884) is 2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C1=Cc2ccccc21.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione?
The InChIKey is IZDWOKQVZIJWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO2/c18-15-12-7-3-4-8-13(12)16(19)17(15)14-9-10-5-1-2-6-11(10)14/h1-9H.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione?
2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione has a molecular weight of 247.25 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)isoindole-1,3-dione is sourced from PubChem (CID 19733884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).