2-(2,3-diethylphenyl)isoindole-1,3-dione

C18H17NO2 — CID 67993045

IUPAC2-(2,3-diethylphenyl)isoindole-1,3-dione
SMILESCCc1cccc(N2C(=O)c3ccccc3C2=O)c1CC
InChIInChI=1S/C18H17NO2/c1-3-12-8-7-11-16(13(12)4-2)19-17(20)14-9-5-6-10-15(14)18(19)21/h5-11H,3-4H2,1-2H3
InChIKeyWYNNPRZLWZBTHU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.61
Rot. Bonds3

About 2-(2,3-diethylphenyl)isoindole-1,3-dione

2-(2,3-diethylphenyl)isoindole-1,3-dione (PubChem CID 67993045) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2,3-diethylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,3-diethylphenyl)isoindole-1,3-dione
PubChem CID67993045
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(2,3-diethylphenyl)isoindole-1,3-dione
SMILESCCc1cccc(N2C(=O)c3ccccc3C2=O)c1CC
InChIInChI=1S/C18H17NO2/c1-3-12-8-7-11-16(13(12)4-2)19-17(20)14-9-5-6-10-15(14)18(19)21/h5-11H,3-4H2,1-2H3
InChIKeyWYNNPRZLWZBTHU-UHFFFAOYSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.61
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-(2,3-diethylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(2,3-diethylphenyl)isoindole-1,3-dione (CID 67993045) is 2-(2,3-diethylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,3-diethylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,3-diethylphenyl)isoindole-1,3-dione is CCc1cccc(N2C(=O)c3ccccc3C2=O)c1CC.
What is the InChIKey of 2-(2,3-diethylphenyl)isoindole-1,3-dione?
The InChIKey is WYNNPRZLWZBTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-12-8-7-11-16(13(12)4-2)19-17(20)14-9-5-6-10-15(14)18(19)21/h5-11H,3-4H2,1-2H3.
What are the key properties of 2-(2,3-diethylphenyl)isoindole-1,3-dione?
2-(2,3-diethylphenyl)isoindole-1,3-dione has a molecular weight of 279.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diethylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 67993045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).