[(2Z)-5-piperazin-1-ylpenta-2,4-dienylidene]tungsten

C9H13N2W- — CID 59626176

IUPAC[(2Z)-5-piperazin-1-ylpenta-2,4-dienylidene]tungsten
SMILES[W]=C/C=C\C=[C-]\N1CCNCC1
InChIInChI=1S/C9H13N2.W/c1-2-3-4-7-11-8-5-10-6-9-11;/h1-4,10H,5-6,8-9H2;/q-1;/b3-2-;
InChIKeyPHZAURSBJZVTGJ-OLGQORCHSA-N
MW333.06 g/mol
LogP0.11
Rot. Bonds3

About [(2Z)-5-piperazin-1-ylpenta-2,4-dienylidene]tungsten

[(2Z)-5-piperazin-1-ylpenta-2,4-dienylidene]tungsten (PubChem CID 59626176) has the molecular formula C9H13N2W- and a molecular weight of 333.06 g/mol. Its IUPAC name is [(2Z)-5-piperazin-1-ylpenta-2,4-dienylidene]tungsten.

Molecular Properties

Compound Name[(2Z)-5-piperazin-1-ylpenta-2,4-dienylidene]tungsten
PubChem CID59626176
Molecular FormulaC9H13N2W-
Molecular Weight333.06 g/mol
Exact Mass333.06
IUPAC Name[(2Z)-5-piperazin-1-ylpenta-2,4-dienylidene]tungsten
SMILES[W]=C/C=C\C=[C-]\N1CCNCC1
InChIInChI=1S/C9H13N2.W/c1-2-3-4-7-11-8-5-10-6-9-11;/h1-4,10H,5-6,8-9H2;/q-1;/b3-2-;
InChIKeyPHZAURSBJZVTGJ-OLGQORCHSA-N
XLogP0.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.06
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-5-piperazin-1-ylpenta-2,4-dienylidene]tungsten?
The IUPAC name of [(2Z)-5-piperazin-1-ylpenta-2,4-dienylidene]tungsten (CID 59626176) is [(2Z)-5-piperazin-1-ylpenta-2,4-dienylidene]tungsten.
What is the SMILES notation for [(2Z)-5-piperazin-1-ylpenta-2,4-dienylidene]tungsten?
The canonical SMILES for [(2Z)-5-piperazin-1-ylpenta-2,4-dienylidene]tungsten is [W]=C/C=C\C=[C-]\N1CCNCC1.
What is the InChIKey of [(2Z)-5-piperazin-1-ylpenta-2,4-dienylidene]tungsten?
The InChIKey is PHZAURSBJZVTGJ-OLGQORCHSA-N. The full InChI is InChI=1S/C9H13N2.W/c1-2-3-4-7-11-8-5-10-6-9-11;/h1-4,10H,5-6,8-9H2;/q-1;/b3-2-;.
What are the key properties of [(2Z)-5-piperazin-1-ylpenta-2,4-dienylidene]tungsten?
[(2Z)-5-piperazin-1-ylpenta-2,4-dienylidene]tungsten has a molecular weight of 333.06 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-5-piperazin-1-ylpenta-2,4-dienylidene]tungsten is sourced from PubChem (CID 59626176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).