1-diazonioazulen-4-olate

C10H6N2O — CID 101012438

IUPAC1-diazonioazulen-4-olate
SMILESN#[N+]c1ccc2c([O-])ccccc1-2
InChIInChI=1S/C10H6N2O/c11-12-9-6-5-8-7(9)3-1-2-4-10(8)13/h1-6H
InChIKeyOIKFJTKDPIBGSN-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.35
Rot. Bonds

About 1-diazonioazulen-4-olate

1-diazonioazulen-4-olate (PubChem CID 101012438) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-diazonioazulen-4-olate.

Molecular Properties

Compound Name1-diazonioazulen-4-olate
PubChem CID101012438
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC Name1-diazonioazulen-4-olate
SMILESN#[N+]c1ccc2c([O-])ccccc1-2
InChIInChI=1S/C10H6N2O/c11-12-9-6-5-8-7(9)3-1-2-4-10(8)13/h1-6H
InChIKeyOIKFJTKDPIBGSN-UHFFFAOYSA-N
XLogP2.35
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.35
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-diazonioazulen-4-olate?
The IUPAC name of 1-diazonioazulen-4-olate (CID 101012438) is 1-diazonioazulen-4-olate.
What is the SMILES notation for 1-diazonioazulen-4-olate?
The canonical SMILES for 1-diazonioazulen-4-olate is N#[N+]c1ccc2c([O-])ccccc1-2.
What is the InChIKey of 1-diazonioazulen-4-olate?
The InChIKey is OIKFJTKDPIBGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c11-12-9-6-5-8-7(9)3-1-2-4-10(8)13/h1-6H.
What are the key properties of 1-diazonioazulen-4-olate?
1-diazonioazulen-4-olate has a molecular weight of 170.17 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazonioazulen-4-olate is sourced from PubChem (CID 101012438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).