7-hydroxyazulene-4-diazonium

C10H7N2O+ — CID 101012435

IUPAC7-hydroxyazulene-4-diazonium
SMILESN#[N+]c1ccc(O)cc2cccc1-2
InChIInChI=1S/C10H6N2O/c11-12-10-5-4-8(13)6-7-2-1-3-9(7)10/h1-6H/p+1
InChIKeyNEVWQTZBQWOJOT-UHFFFAOYSA-O
MW171.18 g/mol
LogP2.98
Rot. Bonds

About 7-hydroxyazulene-4-diazonium

7-hydroxyazulene-4-diazonium (PubChem CID 101012435) has the molecular formula C10H7N2O+ and a molecular weight of 171.18 g/mol. Its IUPAC name is 7-hydroxyazulene-4-diazonium.

Molecular Properties

Compound Name7-hydroxyazulene-4-diazonium
PubChem CID101012435
Molecular FormulaC10H7N2O+
Molecular Weight171.18 g/mol
Exact Mass171.06
IUPAC Name7-hydroxyazulene-4-diazonium
SMILESN#[N+]c1ccc(O)cc2cccc1-2
InChIInChI=1S/C10H6N2O/c11-12-10-5-4-8(13)6-7-2-1-3-9(7)10/h1-6H/p+1
InChIKeyNEVWQTZBQWOJOT-UHFFFAOYSA-O
XLogP2.98
TPSA48.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 52.98
H-Bond Donors ≤ 51
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 7-hydroxyazulene-4-diazonium?
The IUPAC name of 7-hydroxyazulene-4-diazonium (CID 101012435) is 7-hydroxyazulene-4-diazonium.
What is the SMILES notation for 7-hydroxyazulene-4-diazonium?
The canonical SMILES for 7-hydroxyazulene-4-diazonium is N#[N+]c1ccc(O)cc2cccc1-2.
What is the InChIKey of 7-hydroxyazulene-4-diazonium?
The InChIKey is NEVWQTZBQWOJOT-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H6N2O/c11-12-10-5-4-8(13)6-7-2-1-3-9(7)10/h1-6H/p+1.
What are the key properties of 7-hydroxyazulene-4-diazonium?
7-hydroxyazulene-4-diazonium has a molecular weight of 171.18 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxyazulene-4-diazonium is sourced from PubChem (CID 101012435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).