azanylidynecobalt;N-phenylethanimine

C8H8CoN2- — CID 89057031

IUPACazanylidynecobalt;N-phenylethanimine
SMILESC/C=N/c1cc[c-]cc1.N#[Co]
InChIInChI=1S/C8H8N.Co.N/c1-2-9-8-6-4-3-5-7-8;;/h2,4-7H,1H3;;/q-1;;/b9-2+;;
InChIKeyJOJOCHKQEKODBI-VFXUXTATSA-N
MW191.10 g/mol
LogP2.22
Rot. Bonds1

About azanylidynecobalt;N-phenylethanimine

azanylidynecobalt;N-phenylethanimine (PubChem CID 89057031) has the molecular formula C8H8CoN2- and a molecular weight of 191.10 g/mol. Its IUPAC name is azanylidynecobalt;N-phenylethanimine.

Molecular Properties

Compound Nameazanylidynecobalt;N-phenylethanimine
PubChem CID89057031
Molecular FormulaC8H8CoN2-
Molecular Weight191.10 g/mol
Exact Mass191.00
IUPAC Nameazanylidynecobalt;N-phenylethanimine
SMILESC/C=N/c1cc[c-]cc1.N#[Co]
InChIInChI=1S/C8H8N.Co.N/c1-2-9-8-6-4-3-5-7-8;;/h2,4-7H,1H3;;/q-1;;/b9-2+;;
InChIKeyJOJOCHKQEKODBI-VFXUXTATSA-N
XLogP2.22
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.10
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 azanylidynecobalt;N-phenylethanimine?
The IUPAC name of azanylidynecobalt;N-phenylethanimine (CID 89057031) is azanylidynecobalt;N-phenylethanimine.
What is the SMILES notation for azanylidynecobalt;N-phenylethanimine?
The canonical SMILES for azanylidynecobalt;N-phenylethanimine is C/C=N/c1cc[c-]cc1.N#[Co].
What is the InChIKey of azanylidynecobalt;N-phenylethanimine?
The InChIKey is JOJOCHKQEKODBI-VFXUXTATSA-N. The full InChI is InChI=1S/C8H8N.Co.N/c1-2-9-8-6-4-3-5-7-8;;/h2,4-7H,1H3;;/q-1;;/b9-2+;;.
What are the key properties of azanylidynecobalt;N-phenylethanimine?
azanylidynecobalt;N-phenylethanimine has a molecular weight of 191.10 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidynecobalt;N-phenylethanimine is sourced from PubChem (CID 89057031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).