prop-2-enylidene(prop-2-enylidene)azanium

C6H7N+2 — CID 136872448

IUPACprop-2-enylidene(prop-2-enylidene)azanium
SMILES[H]/[C+]=C/C=[N+]=CC=C
InChIInChI=1S/C6H7N/c1-3-5-7-6-4-2/h1,3-6H,2H2/q+2
InChIKeyKUBBXJXTUJPPJL-UHFFFAOYSA-N
MW93.13 g/mol
LogP0.37
Rot. Bonds2

About prop-2-enylidene(prop-2-enylidene)azanium

prop-2-enylidene(prop-2-enylidene)azanium (PubChem CID 136872448) has the molecular formula C6H7N+2 and a molecular weight of 93.13 g/mol. Its IUPAC name is prop-2-enylidene(prop-2-enylidene)azanium.

Molecular Properties

Compound Nameprop-2-enylidene(prop-2-enylidene)azanium
PubChem CID136872448
Molecular FormulaC6H7N+2
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Nameprop-2-enylidene(prop-2-enylidene)azanium
SMILES[H]/[C+]=C/C=[N+]=CC=C
InChIInChI=1S/C6H7N/c1-3-5-7-6-4-2/h1,3-6H,2H2/q+2
InChIKeyKUBBXJXTUJPPJL-UHFFFAOYSA-N
XLogP0.37
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze prop-2-enylidene(prop-2-enylidene)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enylidene(prop-2-enylidene)azanium?
The IUPAC name of prop-2-enylidene(prop-2-enylidene)azanium (CID 136872448) is prop-2-enylidene(prop-2-enylidene)azanium.
What is the SMILES notation for prop-2-enylidene(prop-2-enylidene)azanium?
The canonical SMILES for prop-2-enylidene(prop-2-enylidene)azanium is [H]/[C+]=C/C=[N+]=CC=C.
What is the InChIKey of prop-2-enylidene(prop-2-enylidene)azanium?
The InChIKey is KUBBXJXTUJPPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-3-5-7-6-4-2/h1,3-6H,2H2/q+2.
What are the key properties of prop-2-enylidene(prop-2-enylidene)azanium?
prop-2-enylidene(prop-2-enylidene)azanium has a molecular weight of 93.13 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylidene(prop-2-enylidene)azanium is sourced from PubChem (CID 136872448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).