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

C6H6N+ — CID 101254592

IUPACprop-2-enylidene(prop-2-enylidene)azanium
SMILES[H]/[C+]=C/C=[N+]=C/C=[C-]/[H]
InChIInChI=1S/C6H6N/c1-3-5-7-6-4-2/h1-6H/q+1
InChIKeyQYGNDDXKDOEGPK-UHFFFAOYSA-N
MW92.12 g/mol
LogP0.17
Rot. Bonds2

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

prop-2-enylidene(prop-2-enylidene)azanium (PubChem CID 101254592) has the molecular formula C6H6N+ and a molecular weight of 92.12 g/mol. Its IUPAC name is prop-2-enylidene(prop-2-enylidene)azanium.

Molecular Properties

Compound Nameprop-2-enylidene(prop-2-enylidene)azanium
PubChem CID101254592
Molecular FormulaC6H6N+
Molecular Weight92.12 g/mol
Exact Mass92.05
IUPAC Nameprop-2-enylidene(prop-2-enylidene)azanium
SMILES[H]/[C+]=C/C=[N+]=C/C=[C-]/[H]
InChIInChI=1S/C6H6N/c1-3-5-7-6-4-2/h1-6H/q+1
InChIKeyQYGNDDXKDOEGPK-UHFFFAOYSA-N
XLogP0.17
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.12
LogP ≤ 50.17
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'}

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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 101254592) 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+]=C/C=[C-]/[H].
What is the InChIKey of prop-2-enylidene(prop-2-enylidene)azanium?
The InChIKey is QYGNDDXKDOEGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N/c1-3-5-7-6-4-2/h1-6H/q+1.
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 92.12 g/mol, XLogP of 0.17, 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 101254592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).