1,3-dioxoisoindole-5-diazonium

C8H4N3O2+ — CID 130014657

IUPAC1,3-dioxoisoindole-5-diazonium
SMILESN#[N+]c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C8H3N3O2/c9-11-4-1-2-5-6(3-4)8(13)10-7(5)12/h1-3H/p+1
InChIKeyUCLCNGYTONPWLX-UHFFFAOYSA-O
MW174.14 g/mol
LogP1.05
Rot. Bonds

About 1,3-dioxoisoindole-5-diazonium

1,3-dioxoisoindole-5-diazonium (PubChem CID 130014657) has the molecular formula C8H4N3O2+ and a molecular weight of 174.14 g/mol. Its IUPAC name is 1,3-dioxoisoindole-5-diazonium.

Molecular Properties

Compound Name1,3-dioxoisoindole-5-diazonium
PubChem CID130014657
Molecular FormulaC8H4N3O2+
Molecular Weight174.14 g/mol
Exact Mass174.03
IUPAC Name1,3-dioxoisoindole-5-diazonium
SMILESN#[N+]c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C8H3N3O2/c9-11-4-1-2-5-6(3-4)8(13)10-7(5)12/h1-3H/p+1
InChIKeyUCLCNGYTONPWLX-UHFFFAOYSA-O
XLogP1.05
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1,3-dioxoisoindole-5-diazonium?
The IUPAC name of 1,3-dioxoisoindole-5-diazonium (CID 130014657) is 1,3-dioxoisoindole-5-diazonium.
What is the SMILES notation for 1,3-dioxoisoindole-5-diazonium?
The canonical SMILES for 1,3-dioxoisoindole-5-diazonium is N#[N+]c1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of 1,3-dioxoisoindole-5-diazonium?
The InChIKey is UCLCNGYTONPWLX-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H3N3O2/c9-11-4-1-2-5-6(3-4)8(13)10-7(5)12/h1-3H/p+1.
What are the key properties of 1,3-dioxoisoindole-5-diazonium?
1,3-dioxoisoindole-5-diazonium has a molecular weight of 174.14 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxoisoindole-5-diazonium is sourced from PubChem (CID 130014657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).