1-benzofuran-5-diazonium

C8H5N2O+ — CID 87769506

IUPAC1-benzofuran-5-diazonium
SMILESN#[N+]c1ccc2occc2c1
InChIInChI=1S/C8H5N2O/c9-10-7-1-2-8-6(5-7)3-4-11-8/h1-5H/q+1
InChIKeyHZGNRBKIOKEKDX-UHFFFAOYSA-N
MW145.14 g/mol
LogP2.92
Rot. Bonds

About 1-benzofuran-5-diazonium

1-benzofuran-5-diazonium (PubChem CID 87769506) has the molecular formula C8H5N2O+ and a molecular weight of 145.14 g/mol. Its IUPAC name is 1-benzofuran-5-diazonium.

Molecular Properties

Compound Name1-benzofuran-5-diazonium
PubChem CID87769506
Molecular FormulaC8H5N2O+
Molecular Weight145.14 g/mol
Exact Mass145.04
IUPAC Name1-benzofuran-5-diazonium
SMILESN#[N+]c1ccc2occc2c1
InChIInChI=1S/C8H5N2O/c9-10-7-1-2-8-6(5-7)3-4-11-8/h1-5H/q+1
InChIKeyHZGNRBKIOKEKDX-UHFFFAOYSA-N
XLogP2.92
TPSA41.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-5-diazonium?
The IUPAC name of 1-benzofuran-5-diazonium (CID 87769506) is 1-benzofuran-5-diazonium.
What is the SMILES notation for 1-benzofuran-5-diazonium?
The canonical SMILES for 1-benzofuran-5-diazonium is N#[N+]c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran-5-diazonium?
The InChIKey is HZGNRBKIOKEKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N2O/c9-10-7-1-2-8-6(5-7)3-4-11-8/h1-5H/q+1.
What are the key properties of 1-benzofuran-5-diazonium?
1-benzofuran-5-diazonium has a molecular weight of 145.14 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-5-diazonium is sourced from PubChem (CID 87769506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).