potassium N-phenylmethanimine

C7H5KN- — CID 59945797

IUPACpotassium N-phenylmethanimine
SMILES[H]/[C-]=N/c1[c-]cccc1.[K+]
InChIInChI=1S/C7H5N.K/c1-8-7-5-3-2-4-6-7;/h1-5H;/q-2;+1
InChIKeyBEBAQEAAMFYNBY-UHFFFAOYSA-N
MW142.22 g/mol
LogP-1.30
Rot. Bonds1

About potassium N-phenylmethanimine

potassium N-phenylmethanimine (PubChem CID 59945797) has the molecular formula C7H5KN- and a molecular weight of 142.22 g/mol. Its IUPAC name is potassium N-phenylmethanimine.

Molecular Properties

Compound Namepotassium N-phenylmethanimine
PubChem CID59945797
Molecular FormulaC7H5KN-
Molecular Weight142.22 g/mol
Exact Mass142.01
IUPAC Namepotassium N-phenylmethanimine
SMILES[H]/[C-]=N/c1[c-]cccc1.[K+]
InChIInChI=1S/C7H5N.K/c1-8-7-5-3-2-4-6-7;/h1-5H;/q-2;+1
InChIKeyBEBAQEAAMFYNBY-UHFFFAOYSA-N
XLogP-1.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 potassium N-phenylmethanimine?
The IUPAC name of potassium N-phenylmethanimine (CID 59945797) is potassium N-phenylmethanimine.
What is the SMILES notation for potassium N-phenylmethanimine?
The canonical SMILES for potassium N-phenylmethanimine is [H]/[C-]=N/c1[c-]cccc1.[K+].
What is the InChIKey of potassium N-phenylmethanimine?
The InChIKey is BEBAQEAAMFYNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N.K/c1-8-7-5-3-2-4-6-7;/h1-5H;/q-2;+1.
What are the key properties of potassium N-phenylmethanimine?
potassium N-phenylmethanimine has a molecular weight of 142.22 g/mol, XLogP of -1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-phenylmethanimine is sourced from PubChem (CID 59945797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).