2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium

C10H6N3O4+ — CID 170920036

IUPAC2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium
SMILESN#[N+]CC(=O)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H6N3O4/c11-12-5-8(14)17-13-9(15)6-3-1-2-4-7(6)10(13)16/h1-4H,5H2/q+1
InChIKeySCLIJYCZOIQLQE-UHFFFAOYSA-N
MW232.18 g/mol
LogP0.59
Rot. Bonds2

About 2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium

2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium (PubChem CID 170920036) has the molecular formula C10H6N3O4+ and a molecular weight of 232.18 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium
PubChem CID170920036
Molecular FormulaC10H6N3O4+
Molecular Weight232.18 g/mol
Exact Mass232.04
IUPAC Name2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium
SMILESN#[N+]CC(=O)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H6N3O4/c11-12-5-8(14)17-13-9(15)6-3-1-2-4-7(6)10(13)16/h1-4H,5H2/q+1
InChIKeySCLIJYCZOIQLQE-UHFFFAOYSA-N
XLogP0.59
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium (CID 170920036) is 2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium is N#[N+]CC(=O)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium?
The InChIKey is SCLIJYCZOIQLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N3O4/c11-12-5-8(14)17-13-9(15)6-3-1-2-4-7(6)10(13)16/h1-4H,5H2/q+1.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium?
2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium has a molecular weight of 232.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium is sourced from PubChem (CID 170920036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).