carbon monoxide;diethyl(propylidene)azanium;manganese;manganese(2+)

C15H14Mn2NO8+ — CID 139264209

IUPACcarbon monoxide;diethyl(propylidene)azanium;manganese;manganese(2+)
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH2-][CH-]C=[N+](CC)CC.[Mn+2].[Mn]
InChIInChI=1S/C7H14N.8CO.2Mn/c1-4-7-8(5-2)6-3;8*1-2;;/h4,7H,1,5-6H2,2-3H3;;;;;;;;;;/q-1;;;;;;;;;;+2
InChIKeyVNHKJNKLTRKCLP-UHFFFAOYSA-N
MW446.15 g/mol
LogP0.84
Rot. Bonds3

About carbon monoxide;diethyl(propylidene)azanium;manganese;manganese(2+)

carbon monoxide;diethyl(propylidene)azanium;manganese;manganese(2+) (PubChem CID 139264209) has the molecular formula C15H14Mn2NO8+ and a molecular weight of 446.15 g/mol. Its IUPAC name is carbon monoxide;diethyl(propylidene)azanium;manganese;manganese(2+).

Molecular Properties

Compound Namecarbon monoxide;diethyl(propylidene)azanium;manganese;manganese(2+)
PubChem CID139264209
Molecular FormulaC15H14Mn2NO8+
Molecular Weight446.15 g/mol
Exact Mass445.95
IUPAC Namecarbon monoxide;diethyl(propylidene)azanium;manganese;manganese(2+)
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH2-][CH-]C=[N+](CC)CC.[Mn+2].[Mn]
InChIInChI=1S/C7H14N.8CO.2Mn/c1-4-7-8(5-2)6-3;8*1-2;;/h4,7H,1,5-6H2,2-3H3;;;;;;;;;;/q-1;;;;;;;;;;+2
InChIKeyVNHKJNKLTRKCLP-UHFFFAOYSA-N
XLogP0.84
TPSA162.21 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.15
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', '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 carbon monoxide;diethyl(propylidene)azanium;manganese;manganese(2+)?
The IUPAC name of carbon monoxide;diethyl(propylidene)azanium;manganese;manganese(2+) (CID 139264209) is carbon monoxide;diethyl(propylidene)azanium;manganese;manganese(2+).
What is the SMILES notation for carbon monoxide;diethyl(propylidene)azanium;manganese;manganese(2+)?
The canonical SMILES for carbon monoxide;diethyl(propylidene)azanium;manganese;manganese(2+) is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH2-][CH-]C=[N+](CC)CC.[Mn+2].[Mn].
What is the InChIKey of carbon monoxide;diethyl(propylidene)azanium;manganese;manganese(2+)?
The InChIKey is VNHKJNKLTRKCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N.8CO.2Mn/c1-4-7-8(5-2)6-3;8*1-2;;/h4,7H,1,5-6H2,2-3H3;;;;;;;;;;/q-1;;;;;;;;;;+2.
What are the key properties of carbon monoxide;diethyl(propylidene)azanium;manganese;manganese(2+)?
carbon monoxide;diethyl(propylidene)azanium;manganese;manganese(2+) has a molecular weight of 446.15 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;diethyl(propylidene)azanium;manganese;manganese(2+) is sourced from PubChem (CID 139264209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).