2-methylinden-2-ylium-5-diazonium

C10H8N2+2 — CID 86094968

IUPAC2-methylinden-2-ylium-5-diazonium
SMILESC[C+]1C=c2ccc([N+]#N)cc2=C1
InChIInChI=1S/C10H8N2/c1-7-4-8-2-3-10(12-11)6-9(8)5-7/h2-6H,1H3/q+2
InChIKeyZDHKPYVZRRFCNO-UHFFFAOYSA-N
MW156.19 g/mol
LogP1.34
Rot. Bonds

About 2-methylinden-2-ylium-5-diazonium

2-methylinden-2-ylium-5-diazonium (PubChem CID 86094968) has the molecular formula C10H8N2+2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-methylinden-2-ylium-5-diazonium.

Molecular Properties

Compound Name2-methylinden-2-ylium-5-diazonium
PubChem CID86094968
Molecular FormulaC10H8N2+2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name2-methylinden-2-ylium-5-diazonium
SMILESC[C+]1C=c2ccc([N+]#N)cc2=C1
InChIInChI=1S/C10H8N2/c1-7-4-8-2-3-10(12-11)6-9(8)5-7/h2-6H,1H3/q+2
InChIKeyZDHKPYVZRRFCNO-UHFFFAOYSA-N
XLogP1.34
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylinden-2-ylium-5-diazonium?
The IUPAC name of 2-methylinden-2-ylium-5-diazonium (CID 86094968) is 2-methylinden-2-ylium-5-diazonium.
What is the SMILES notation for 2-methylinden-2-ylium-5-diazonium?
The canonical SMILES for 2-methylinden-2-ylium-5-diazonium is C[C+]1C=c2ccc([N+]#N)cc2=C1.
What is the InChIKey of 2-methylinden-2-ylium-5-diazonium?
The InChIKey is ZDHKPYVZRRFCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-7-4-8-2-3-10(12-11)6-9(8)5-7/h2-6H,1H3/q+2.
What are the key properties of 2-methylinden-2-ylium-5-diazonium?
2-methylinden-2-ylium-5-diazonium has a molecular weight of 156.19 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylinden-2-ylium-5-diazonium is sourced from PubChem (CID 86094968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).