5-phenylisoindole-1,3-dione

C14H9NO2 — CID 613927

IUPAC5-phenylisoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C14H9NO2/c16-13-11-7-6-10(8-12(11)14(17)15-13)9-4-2-1-3-5-9/h1-8H,(H,15,16,17)
InChIKeyFCSWIKQIQMHZKO-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.24
Rot. Bonds1

About 5-phenylisoindole-1,3-dione

5-phenylisoindole-1,3-dione (PubChem CID 613927) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name5-phenylisoindole-1,3-dione
PubChem CID613927
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name5-phenylisoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C14H9NO2/c16-13-11-7-6-10(8-12(11)14(17)15-13)9-4-2-1-3-5-9/h1-8H,(H,15,16,17)
InChIKeyFCSWIKQIQMHZKO-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione
CID 28777
Phthalimide
CID 6809
N-Methylphthalimide
CID 11074
N-Hydroxyphthalimide
CID 10665
Phthalimidine
CID 10199
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
N-(2-Methylallyl)-phthalimide
CID 231838
N-(Phenylseleno)phthalimide
CID 590397
N-Cyclohexylphthalimide
CID 225739
2,3-Naphthalenedicarboximide
CID 335194
Potassium phthalimide
CID 3356745

Frequently Asked Questions

What is the IUPAC name of 5-phenylisoindole-1,3-dione?
The IUPAC name of 5-phenylisoindole-1,3-dione (CID 613927) is 5-phenylisoindole-1,3-dione.
What is the SMILES notation for 5-phenylisoindole-1,3-dione?
The canonical SMILES for 5-phenylisoindole-1,3-dione is O=C1NC(=O)c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 5-phenylisoindole-1,3-dione?
The InChIKey is FCSWIKQIQMHZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-13-11-7-6-10(8-12(11)14(17)15-13)9-4-2-1-3-5-9/h1-8H,(H,15,16,17).
What are the key properties of 5-phenylisoindole-1,3-dione?
5-phenylisoindole-1,3-dione has a molecular weight of 223.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylisoindole-1,3-dione is sourced from PubChem (CID 613927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).