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

C10H7N3O4 — CID 170693357

IUPAC2-(1,3,2,4-dioxadiazin-4-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1n1cco[nH]o1
InChIInChI=1S/C10H7N3O4/c14-9-7-3-1-2-4-8(7)10(15)13(9)12-5-6-16-11-17-12/h1-6,11H
InChIKeyVPUOHCRQWSOONV-UHFFFAOYSA-N
MW233.18 g/mol
LogP1.06
Rot. Bonds1

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

2-(1,3,2,4-dioxadiazin-4-yl)isoindole-1,3-dione (PubChem CID 170693357) has the molecular formula C10H7N3O4 and a molecular weight of 233.18 g/mol. Its IUPAC name is 2-(1,3,2,4-dioxadiazin-4-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1,3,2,4-dioxadiazin-4-yl)isoindole-1,3-dione
PubChem CID170693357
Molecular FormulaC10H7N3O4
Molecular Weight233.18 g/mol
Exact Mass233.04
IUPAC Name2-(1,3,2,4-dioxadiazin-4-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1n1cco[nH]o1
InChIInChI=1S/C10H7N3O4/c14-9-7-3-1-2-4-8(7)10(15)13(9)12-5-6-16-11-17-12/h1-6,11H
InChIKeyVPUOHCRQWSOONV-UHFFFAOYSA-N
XLogP1.06
TPSA84.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 51.06
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-(1,3,2,4-dioxadiazin-4-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1,3,2,4-dioxadiazin-4-yl)isoindole-1,3-dione (CID 170693357) is 2-(1,3,2,4-dioxadiazin-4-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1,3,2,4-dioxadiazin-4-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1,3,2,4-dioxadiazin-4-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1n1cco[nH]o1.
What is the InChIKey of 2-(1,3,2,4-dioxadiazin-4-yl)isoindole-1,3-dione?
The InChIKey is VPUOHCRQWSOONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4/c14-9-7-3-1-2-4-8(7)10(15)13(9)12-5-6-16-11-17-12/h1-6,11H.
What are the key properties of 2-(1,3,2,4-dioxadiazin-4-yl)isoindole-1,3-dione?
2-(1,3,2,4-dioxadiazin-4-yl)isoindole-1,3-dione has a molecular weight of 233.18 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,2,4-dioxadiazin-4-yl)isoindole-1,3-dione is sourced from PubChem (CID 170693357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).