[(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium

C7H10NSe2+ — CID 135051495

IUPAC[(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium
SMILESC[N+](C)=C/C=C1/C=C[Se][Se]1
InChIInChI=1S/C7H10NSe2/c1-8(2)5-3-7-4-6-9-10-7/h3-6H,1-2H3/q+1/b7-3-
InChIKeyPPDOQCODBKQQOA-CLTKARDFSA-N
MW266.08 g/mol
LogP0.06
Rot. Bonds1

About [(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium

[(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium (PubChem CID 135051495) has the molecular formula C7H10NSe2+ and a molecular weight of 266.08 g/mol. Its IUPAC name is [(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium.

Molecular Properties

Compound Name[(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium
PubChem CID135051495
Molecular FormulaC7H10NSe2+
Molecular Weight266.08 g/mol
Exact Mass267.91
IUPAC Name[(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium
SMILESC[N+](C)=C/C=C1/C=C[Se][Se]1
InChIInChI=1S/C7H10NSe2/c1-8(2)5-3-7-4-6-9-10-7/h3-6H,1-2H3/q+1/b7-3-
InChIKeyPPDOQCODBKQQOA-CLTKARDFSA-N
XLogP0.06
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 50.06
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

Mefcfysnjkhelm-snawjcmrsa-
CID 13354352
2-Aza-2,4,6-heptatriene
CID 59945193
dimethyl-[(2Z)-2-(5-methyldiselenol-3-ylidene)ethylidene]azanium
CID 134890818
1-Methyl-2H-pyrrol-1-ium
CID 18335492
1-methyl-2H-azepin-1-ium
CID 22153550
N-methylhexa-2,4-dien-1-imine
CID 58618417
But-2-enylidene(dimethyl)azanium
CID 73181565
(2Z,4Z)-N-methylhexa-2,4-dien-1-imine
CID 88859437
(2Z,4E)-N-methylhexa-2,4-dien-1-imine
CID 89211302
(2Z)-N-ethylpenta-2,4-dien-1-imine
CID 89240716
[(Z)-but-2-enylidene]-ethyl-methylazanium
CID 89324383
ethane;1-methyl-2H-pyrrol-1-ium
CID 91604972

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium?
The IUPAC name of [(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium (CID 135051495) is [(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium.
What is the SMILES notation for [(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium?
The canonical SMILES for [(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium is C[N+](C)=C/C=C1/C=C[Se][Se]1.
What is the InChIKey of [(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium?
The InChIKey is PPDOQCODBKQQOA-CLTKARDFSA-N. The full InChI is InChI=1S/C7H10NSe2/c1-8(2)5-3-7-4-6-9-10-7/h3-6H,1-2H3/q+1/b7-3-.
What are the key properties of [(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium?
[(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium has a molecular weight of 266.08 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium is sourced from PubChem (CID 135051495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).