dimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium

C8H12NSe2+ — CID 134890818

IUPACdimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium
SMILESCC1=C/C(=C/C=[N+](C)C)[Se][Se]1
InChIInChI=1S/C8H12NSe2/c1-7-6-8(11-10-7)4-5-9(2)3/h4-6H,1-3H3/q+1/b8-4-
InChIKeyZEAINGDHZILLAN-YWEYNIOJSA-N
MW280.11 g/mol
LogP0.45
Rot. Bonds1

About dimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium

dimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium (PubChem CID 134890818) has the molecular formula C8H12NSe2+ and a molecular weight of 280.11 g/mol. Its IUPAC name is dimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium.

Molecular Properties

Compound Namedimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium
PubChem CID134890818
Molecular FormulaC8H12NSe2+
Molecular Weight280.11 g/mol
Exact Mass281.93
IUPAC Namedimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium
SMILESCC1=C/C(=C/C=[N+](C)C)[Se][Se]1
InChIInChI=1S/C8H12NSe2/c1-7-6-8(11-10-7)4-5-9(2)3/h4-6H,1-3H3/q+1/b8-4-
InChIKeyZEAINGDHZILLAN-YWEYNIOJSA-N
XLogP0.45
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium
CID 135051495
[(2E,4E)-hexa-2,4-dienylidene]-dimethylazanium
CID 21581737
dimethyl-[(2E)-penta-2,4-dienylidene]azanium
CID 21719082
[(2E,4E)-hepta-2,4,6-trienylidene]-dimethylazanium
CID 21721137
dimethyl-[(2Z)-2-(5-methyldithiol-3-ylidene)ethylidene]azanium
CID 176440599

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium?
The IUPAC name of dimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium (CID 134890818) is dimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium.
What is the SMILES notation for dimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium?
The canonical SMILES for dimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium is CC1=C/C(=C/C=[N+](C)C)[Se][Se]1.
What is the InChIKey of dimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium?
The InChIKey is ZEAINGDHZILLAN-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H12NSe2/c1-7-6-8(11-10-7)4-5-9(2)3/h4-6H,1-3H3/q+1/b8-4-.
What are the key properties of dimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium?
dimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium has a molecular weight of 280.11 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium is sourced from PubChem (CID 134890818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).