cyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide

C8H10N2 — CID 162397558

IUPACcyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide
SMILESCC#[N+][N-]C1=CC=CCC1
InChIInChI=1S/C8H10N2/c1-2-9-10-8-6-4-3-5-7-8/h3-4,6H,5,7H2,1H3
InChIKeyZNIIJPDBFPEBQZ-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.86
Rot. Bonds1

About cyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide

cyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide (PubChem CID 162397558) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide
PubChem CID162397558
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Namecyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide
SMILESCC#[N+][N-]C1=CC=CCC1
InChIInChI=1S/C8H10N2/c1-2-9-10-8-6-4-3-5-7-8/h3-4,6H,5,7H2,1H3
InChIKeyZNIIJPDBFPEBQZ-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide?
The IUPAC name of cyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide (CID 162397558) is cyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide.
What is the SMILES notation for cyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide?
The canonical SMILES for cyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide is CC#[N+][N-]C1=CC=CCC1.
What is the InChIKey of cyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide?
The InChIKey is ZNIIJPDBFPEBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-9-10-8-6-4-3-5-7-8/h3-4,6H,5,7H2,1H3.
What are the key properties of cyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide?
cyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide has a molecular weight of 134.18 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-yl(ethylidyneazaniumyl)azanide is sourced from PubChem (CID 162397558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).