2-(4-acetylphenyl)isoindole-1,3-dione

C16H11NO3 — CID 689981

IUPAC2-(4-acetylphenyl)isoindole-1,3-dione
SMILESCC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H11NO3/c1-10(18)11-6-8-12(9-7-11)17-15(19)13-4-2-3-5-14(13)16(17)20/h2-9H,1H3
InChIKeyIZYOEWPKMOPSSP-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.69
Rot. Bonds2

About 2-(4-acetylphenyl)isoindole-1,3-dione

2-(4-acetylphenyl)isoindole-1,3-dione (PubChem CID 689981) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(4-acetylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-acetylphenyl)isoindole-1,3-dione
PubChem CID689981
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name2-(4-acetylphenyl)isoindole-1,3-dione
SMILESCC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H11NO3/c1-10(18)11-6-8-12(9-7-11)17-15(19)13-4-2-3-5-14(13)16(17)20/h2-9H,1H3
InChIKeyIZYOEWPKMOPSSP-UHFFFAOYSA-N
XLogP2.69
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-acetylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(4-acetylphenyl)isoindole-1,3-dione (CID 689981) is 2-(4-acetylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-acetylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-acetylphenyl)isoindole-1,3-dione is CC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-acetylphenyl)isoindole-1,3-dione?
The InChIKey is IZYOEWPKMOPSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c1-10(18)11-6-8-12(9-7-11)17-15(19)13-4-2-3-5-14(13)16(17)20/h2-9H,1H3.
What are the key properties of 2-(4-acetylphenyl)isoindole-1,3-dione?
2-(4-acetylphenyl)isoindole-1,3-dione has a molecular weight of 265.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 689981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).