cyclohex-2-en-1-yliminoazanium

C6H11N2+ — CID 163522897

IUPACcyclohex-2-en-1-yliminoazanium
SMILES[NH2+]=NC1C=CCCC1
InChIInChI=1S/C6H10N2/c7-8-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/p+1
InChIKeyDMJJEFGWTOVKAU-UHFFFAOYSA-O
MW111.17 g/mol
LogP0.31
Rot. Bonds1

About cyclohex-2-en-1-yliminoazanium

cyclohex-2-en-1-yliminoazanium (PubChem CID 163522897) has the molecular formula C6H11N2+ and a molecular weight of 111.17 g/mol. Its IUPAC name is cyclohex-2-en-1-yliminoazanium.

Molecular Properties

Compound Namecyclohex-2-en-1-yliminoazanium
PubChem CID163522897
Molecular FormulaC6H11N2+
Molecular Weight111.17 g/mol
Exact Mass111.09
IUPAC Namecyclohex-2-en-1-yliminoazanium
SMILES[NH2+]=NC1C=CCCC1
InChIInChI=1S/C6H10N2/c7-8-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/p+1
InChIKeyDMJJEFGWTOVKAU-UHFFFAOYSA-O
XLogP0.31
TPSA37.95 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yliminoazanium?
The IUPAC name of cyclohex-2-en-1-yliminoazanium (CID 163522897) is cyclohex-2-en-1-yliminoazanium.
What is the SMILES notation for cyclohex-2-en-1-yliminoazanium?
The canonical SMILES for cyclohex-2-en-1-yliminoazanium is [NH2+]=NC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yliminoazanium?
The InChIKey is DMJJEFGWTOVKAU-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N2/c7-8-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/p+1.
What are the key properties of cyclohex-2-en-1-yliminoazanium?
cyclohex-2-en-1-yliminoazanium has a molecular weight of 111.17 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yliminoazanium is sourced from PubChem (CID 163522897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).