dimethyl-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium

C9H14NSe2+ — CID 134890932

IUPACdimethyl-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium
SMILESCC1=C[Se][Se]/C1=C(/C)C=[N+](C)C
InChIInChI=1S/C9H14NSe2/c1-7(5-10(3)4)9-8(2)6-11-12-9/h5-6H,1-4H3/q+1/b9-7-
InChIKeySNRCGZNHRHPQKY-CLFYSBASSA-N
MW294.14 g/mol
LogP0.84
Rot. Bonds1

About dimethyl-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium

dimethyl-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium (PubChem CID 134890932) has the molecular formula C9H14NSe2+ and a molecular weight of 294.14 g/mol. Its IUPAC name is dimethyl-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium.

Molecular Properties

Compound Namedimethyl-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium
PubChem CID134890932
Molecular FormulaC9H14NSe2+
Molecular Weight294.14 g/mol
Exact Mass295.95
IUPAC Namedimethyl-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium
SMILESCC1=C[Se][Se]/C1=C(/C)C=[N+](C)C
InChIInChI=1S/C9H14NSe2/c1-7(5-10(3)4)9-8(2)6-11-12-9/h5-6H,1-4H3/q+1/b9-7-
InChIKeySNRCGZNHRHPQKY-CLFYSBASSA-N
XLogP0.84
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 50.84
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-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium?
The IUPAC name of dimethyl-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium (CID 134890932) is dimethyl-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium.
What is the SMILES notation for dimethyl-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium?
The canonical SMILES for dimethyl-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium is CC1=C[Se][Se]/C1=C(/C)C=[N+](C)C.
What is the InChIKey of dimethyl-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium?
The InChIKey is SNRCGZNHRHPQKY-CLFYSBASSA-N. The full InChI is InChI=1S/C9H14NSe2/c1-7(5-10(3)4)9-8(2)6-11-12-9/h5-6H,1-4H3/q+1/b9-7-.
What are the key properties of dimethyl-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium?
dimethyl-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium has a molecular weight of 294.14 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2Z)-2-(4-methyldiselenol-3-ylidene)propylidene]azanium is sourced from PubChem (CID 134890932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).