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

C14H10N2O2 — CID 960942

IUPAC2-(3-aminophenyl)isoindole-1,3-dione
SMILESNc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C14H10N2O2/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(16)18/h1-8H,15H2
InChIKeyOOPLRJVJUNAQIG-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.07
Rot. Bonds1

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

2-(3-aminophenyl)isoindole-1,3-dione (PubChem CID 960942) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(3-aminophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-aminophenyl)isoindole-1,3-dione
PubChem CID960942
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-(3-aminophenyl)isoindole-1,3-dione
SMILESNc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C14H10N2O2/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(16)18/h1-8H,15H2
InChIKeyOOPLRJVJUNAQIG-UHFFFAOYSA-N
XLogP2.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-aminophenyl)isoindole-1,3-dione (CID 960942) is 2-(3-aminophenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-aminophenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-aminophenyl)isoindole-1,3-dione is Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-(3-aminophenyl)isoindole-1,3-dione?
The InChIKey is OOPLRJVJUNAQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(16)18/h1-8H,15H2.
What are the key properties of 2-(3-aminophenyl)isoindole-1,3-dione?
2-(3-aminophenyl)isoindole-1,3-dione has a molecular weight of 238.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)isoindole-1,3-dione is sourced from PubChem (CID 960942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).