(1,3-dioxoisoindol-2-yl) benzoate

C15H9NO4 — CID 792579

IUPAC(1,3-dioxoisoindol-2-yl) benzoate
SMILESO=C(ON1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C15H9NO4/c17-13-11-8-4-5-9-12(11)14(18)16(13)20-15(19)10-6-2-1-3-7-10/h1-9H
InChIKeyPSXVVEFTUBMHJR-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.05
Rot. Bonds2

About (1,3-dioxoisoindol-2-yl) benzoate

(1,3-dioxoisoindol-2-yl) benzoate (PubChem CID 792579) has the molecular formula C15H9NO4 and a molecular weight of 267.24 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) benzoate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) benzoate
PubChem CID792579
Molecular FormulaC15H9NO4
Molecular Weight267.24 g/mol
Exact Mass267.05
IUPAC Name(1,3-dioxoisoindol-2-yl) benzoate
SMILESO=C(ON1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C15H9NO4/c17-13-11-8-4-5-9-12(11)14(18)16(13)20-15(19)10-6-2-1-3-7-10/h1-9H
InChIKeyPSXVVEFTUBMHJR-UHFFFAOYSA-N
XLogP2.05
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
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 (1,3-dioxoisoindol-2-yl) benzoate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) benzoate (CID 792579) is (1,3-dioxoisoindol-2-yl) benzoate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) benzoate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) benzoate is O=C(ON1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) benzoate?
The InChIKey is PSXVVEFTUBMHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO4/c17-13-11-8-4-5-9-12(11)14(18)16(13)20-15(19)10-6-2-1-3-7-10/h1-9H.
What are the key properties of (1,3-dioxoisoindol-2-yl) benzoate?
(1,3-dioxoisoindol-2-yl) benzoate has a molecular weight of 267.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) benzoate is sourced from PubChem (CID 792579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).