dimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium

C11H16NSe2+ — CID 135051356

IUPACdimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium
SMILESCC1=C2CCCC(C=[N+](C)C)=C2[Se][Se]1
InChIInChI=1S/C11H16NSe2/c1-8-10-6-4-5-9(7-12(2)3)11(10)14-13-8/h7H,4-6H2,1-3H3/q+1
InChIKeyJEIFTUOKNVOTOZ-UHFFFAOYSA-N
MW320.18 g/mol
LogP1.38
Rot. Bonds1

About dimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium

dimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium (PubChem CID 135051356) has the molecular formula C11H16NSe2+ and a molecular weight of 320.18 g/mol. Its IUPAC name is dimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium.

Molecular Properties

Compound Namedimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium
PubChem CID135051356
Molecular FormulaC11H16NSe2+
Molecular Weight320.18 g/mol
Exact Mass321.96
IUPAC Namedimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium
SMILESCC1=C2CCCC(C=[N+](C)C)=C2[Se][Se]1
InChIInChI=1S/C11H16NSe2/c1-8-10-6-4-5-9(7-12(2)3)11(10)14-13-8/h7H,4-6H2,1-3H3/q+1
InChIKeyJEIFTUOKNVOTOZ-UHFFFAOYSA-N
XLogP1.38
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 51.38
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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Frequently Asked Questions

What is the IUPAC name of dimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium?
The IUPAC name of dimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium (CID 135051356) is dimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium.
What is the SMILES notation for dimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium?
The canonical SMILES for dimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium is CC1=C2CCCC(C=[N+](C)C)=C2[Se][Se]1.
What is the InChIKey of dimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium?
The InChIKey is JEIFTUOKNVOTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NSe2/c1-8-10-6-4-5-9(7-12(2)3)11(10)14-13-8/h7H,4-6H2,1-3H3/q+1.
What are the key properties of dimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium?
dimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium has a molecular weight of 320.18 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(3-methyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium is sourced from PubChem (CID 135051356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).