2-(2,6-dioxopiperidin-3-yl)-4-phenoxyisoindole-1,3-dione

C19H14N2O5 — CID 25015581

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-phenoxyisoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(Oc4ccccc4)c3C2=O)C(=O)N1
InChIInChI=1S/C19H14N2O5/c22-15-10-9-13(17(23)20-15)21-18(24)12-7-4-8-14(16(12)19(21)25)26-11-5-2-1-3-6-11/h1-8,13H,9-10H2,(H,20,22,23)
InChIKeyHLWTUYSKCGMHKE-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.88
Rot. Bonds3

About 2-(2,6-dioxopiperidin-3-yl)-4-phenoxyisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-phenoxyisoindole-1,3-dione (PubChem CID 25015581) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-phenoxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-phenoxyisoindole-1,3-dione
PubChem CID25015581
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-phenoxyisoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(Oc4ccccc4)c3C2=O)C(=O)N1
InChIInChI=1S/C19H14N2O5/c22-15-10-9-13(17(23)20-15)21-18(24)12-7-4-8-14(16(12)19(21)25)26-11-5-2-1-3-6-11/h1-8,13H,9-10H2,(H,20,22,23)
InChIKeyHLWTUYSKCGMHKE-UHFFFAOYSA-N
XLogP1.88
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,6-dioxopiperidin-3-yl)-4-phenoxyisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-phenoxyisoindole-1,3-dione (CID 25015581) is 2-(2,6-dioxopiperidin-3-yl)-4-phenoxyisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-phenoxyisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-phenoxyisoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(Oc4ccccc4)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-phenoxyisoindole-1,3-dione?
The InChIKey is HLWTUYSKCGMHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c22-15-10-9-13(17(23)20-15)21-18(24)12-7-4-8-14(16(12)19(21)25)26-11-5-2-1-3-6-11/h1-8,13H,9-10H2,(H,20,22,23).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-phenoxyisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-phenoxyisoindole-1,3-dione has a molecular weight of 350.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-phenoxyisoindole-1,3-dione is sourced from PubChem (CID 25015581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).