[(2Z)-2-(4,5-dimethyldiselenol-3-ylidene)propylidene]-dimethylazanium

C10H16NSe2+ — CID 134891007

IUPAC[(2Z)-2-(4,5-dimethyldiselenol-3-ylidene)propylidene]-dimethylazanium
SMILESCC1=C(C)/C(=C(\C)C=[N+](C)C)[Se][Se]1
InChIInChI=1S/C10H16NSe2/c1-7(6-11(4)5)10-8(2)9(3)12-13-10/h6H,1-5H3/q+1/b10-7-
InChIKeyWHXBQBXVMZMSPS-YFHOEESVSA-N
MW308.17 g/mol
LogP1.23
Rot. Bonds1

About [(2Z)-2-(4,5-dimethyldiselenol-3-ylidene)propylidene]-dimethylazanium

[(2Z)-2-(4,5-dimethyldiselenol-3-ylidene)propylidene]-dimethylazanium (PubChem CID 134891007) has the molecular formula C10H16NSe2+ and a molecular weight of 308.17 g/mol. Its IUPAC name is [(2Z)-2-(4,5-dimethyldiselenol-3-ylidene)propylidene]-dimethylazanium.

Molecular Properties

Compound Name[(2Z)-2-(4,5-dimethyldiselenol-3-ylidene)propylidene]-dimethylazanium
PubChem CID134891007
Molecular FormulaC10H16NSe2+
Molecular Weight308.17 g/mol
Exact Mass309.96
IUPAC Name[(2Z)-2-(4,5-dimethyldiselenol-3-ylidene)propylidene]-dimethylazanium
SMILESCC1=C(C)/C(=C(\C)C=[N+](C)C)[Se][Se]1
InChIInChI=1S/C10H16NSe2/c1-7(6-11(4)5)10-8(2)9(3)12-13-10/h6H,1-5H3/q+1/b10-7-
InChIKeyWHXBQBXVMZMSPS-YFHOEESVSA-N
XLogP1.23
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 51.23
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

dimethyl-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium
CID 134890932
dimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium
CID 135051356
1,4-Dimethyl-5-(3-methylbut-2-en-2-yl)-2,3-dihydropyridin-1-ium
CID 123607223
(3-Ethyl-2-methylpent-2-enylidene)-dimethylazanium
CID 167045238

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-(4,5-dimethyldiselenol-3-ylidene)propylidene]-dimethylazanium?
The IUPAC name of [(2Z)-2-(4,5-dimethyldiselenol-3-ylidene)propylidene]-dimethylazanium (CID 134891007) is [(2Z)-2-(4,5-dimethyldiselenol-3-ylidene)propylidene]-dimethylazanium.
What is the SMILES notation for [(2Z)-2-(4,5-dimethyldiselenol-3-ylidene)propylidene]-dimethylazanium?
The canonical SMILES for [(2Z)-2-(4,5-dimethyldiselenol-3-ylidene)propylidene]-dimethylazanium is CC1=C(C)/C(=C(\C)C=[N+](C)C)[Se][Se]1.
What is the InChIKey of [(2Z)-2-(4,5-dimethyldiselenol-3-ylidene)propylidene]-dimethylazanium?
The InChIKey is WHXBQBXVMZMSPS-YFHOEESVSA-N. The full InChI is InChI=1S/C10H16NSe2/c1-7(6-11(4)5)10-8(2)9(3)12-13-10/h6H,1-5H3/q+1/b10-7-.
What are the key properties of [(2Z)-2-(4,5-dimethyldiselenol-3-ylidene)propylidene]-dimethylazanium?
[(2Z)-2-(4,5-dimethyldiselenol-3-ylidene)propylidene]-dimethylazanium has a molecular weight of 308.17 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-(4,5-dimethyldiselenol-3-ylidene)propylidene]-dimethylazanium is sourced from PubChem (CID 134891007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).