2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione

C16H8N2O4 — CID 13202311

IUPAC2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H8N2O4/c19-13-10-6-3-7-11(12(10)14(20)17-13)18-15(21)8-4-1-2-5-9(8)16(18)22/h1-7H,(H,17,19,20)
InChIKeyBUYBVDSIWQRTTG-UHFFFAOYSA-N
MW292.25 g/mol
LogP1.37
Rot. Bonds1

About 2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione

2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione (PubChem CID 13202311) has the molecular formula C16H8N2O4 and a molecular weight of 292.25 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione
PubChem CID13202311
Molecular FormulaC16H8N2O4
Molecular Weight292.25 g/mol
Exact Mass292.05
IUPAC Name2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H8N2O4/c19-13-10-6-3-7-11(12(10)14(20)17-13)18-15(21)8-4-1-2-5-9(8)16(18)22/h1-7H,(H,17,19,20)
InChIKeyBUYBVDSIWQRTTG-UHFFFAOYSA-N
XLogP1.37
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione (CID 13202311) is 2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione is O=C1NC(=O)c2c1cccc2N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione?
The InChIKey is BUYBVDSIWQRTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N2O4/c19-13-10-6-3-7-11(12(10)14(20)17-13)18-15(21)8-4-1-2-5-9(8)16(18)22/h1-7H,(H,17,19,20).
What are the key properties of 2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione?
2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione has a molecular weight of 292.25 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione is sourced from PubChem (CID 13202311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).