cyclohexa-2,4-dien-1-ylideneazanide;nickel

C6H5NNi — CID 175667791

IUPACcyclohexa-2,4-dien-1-ylideneazanide;nickel
SMILES[N-]=C1C=CC=C[CH+]1.[Ni]
InChIInChI=1S/C6H5N.Ni/c7-6-4-2-1-3-5-6;/h1-5H;
InChIKeyFZDWZVCIYMJXNU-UHFFFAOYSA-N
MW149.81 g/mol
LogP1.32
Rot. Bonds

About cyclohexa-2,4-dien-1-ylideneazanide;nickel

cyclohexa-2,4-dien-1-ylideneazanide;nickel (PubChem CID 175667791) has the molecular formula C6H5NNi and a molecular weight of 149.81 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-ylideneazanide;nickel.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-ylideneazanide;nickel
PubChem CID175667791
Molecular FormulaC6H5NNi
Molecular Weight149.81 g/mol
Exact Mass148.98
IUPAC Namecyclohexa-2,4-dien-1-ylideneazanide;nickel
SMILES[N-]=C1C=CC=C[CH+]1.[Ni]
InChIInChI=1S/C6H5N.Ni/c7-6-4-2-1-3-5-6;/h1-5H;
InChIKeyFZDWZVCIYMJXNU-UHFFFAOYSA-N
XLogP1.32
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.81
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-ylideneazanide;nickel?
The IUPAC name of cyclohexa-2,4-dien-1-ylideneazanide;nickel (CID 175667791) is cyclohexa-2,4-dien-1-ylideneazanide;nickel.
What is the SMILES notation for cyclohexa-2,4-dien-1-ylideneazanide;nickel?
The canonical SMILES for cyclohexa-2,4-dien-1-ylideneazanide;nickel is [N-]=C1C=CC=C[CH+]1.[Ni].
What is the InChIKey of cyclohexa-2,4-dien-1-ylideneazanide;nickel?
The InChIKey is FZDWZVCIYMJXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N.Ni/c7-6-4-2-1-3-5-6;/h1-5H;.
What are the key properties of cyclohexa-2,4-dien-1-ylideneazanide;nickel?
cyclohexa-2,4-dien-1-ylideneazanide;nickel has a molecular weight of 149.81 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-ylideneazanide;nickel is sourced from PubChem (CID 175667791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).