potassium 1-cyano-N-hydroxy-1-phenylmethanimine oxide

C8H6KN2O2+ — CID 54610878

IUPACpotassium 1-cyano-N-hydroxy-1-phenylmethanimine oxide
SMILESN#C/C(c1ccccc1)=[N+](/[O-])O.[K+]
InChIInChI=1S/C8H6N2O2.K/c9-6-8(10(11)12)7-4-2-1-3-5-7;/h1-5H,(H,11,12);/q;+1
InChIKeyNXQJYGGAWNMIGC-UHFFFAOYSA-N
MW201.25 g/mol
LogP-2.10
Rot. Bonds1

About potassium 1-cyano-N-hydroxy-1-phenylmethanimine oxide

potassium 1-cyano-N-hydroxy-1-phenylmethanimine oxide (PubChem CID 54610878) has the molecular formula C8H6KN2O2+ and a molecular weight of 201.25 g/mol. Its IUPAC name is potassium 1-cyano-N-hydroxy-1-phenylmethanimine oxide.

Molecular Properties

Compound Namepotassium 1-cyano-N-hydroxy-1-phenylmethanimine oxide
PubChem CID54610878
Molecular FormulaC8H6KN2O2+
Molecular Weight201.25 g/mol
Exact Mass201.01
IUPAC Namepotassium 1-cyano-N-hydroxy-1-phenylmethanimine oxide
SMILESN#C/C(c1ccccc1)=[N+](/[O-])O.[K+]
InChIInChI=1S/C8H6N2O2.K/c9-6-8(10(11)12)7-4-2-1-3-5-7;/h1-5H,(H,11,12);/q;+1
InChIKeyNXQJYGGAWNMIGC-UHFFFAOYSA-N
XLogP-2.10
TPSA70.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-2.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 1-cyano-N-hydroxy-1-phenylmethanimine oxide?
The IUPAC name of potassium 1-cyano-N-hydroxy-1-phenylmethanimine oxide (CID 54610878) is potassium 1-cyano-N-hydroxy-1-phenylmethanimine oxide.
What is the SMILES notation for potassium 1-cyano-N-hydroxy-1-phenylmethanimine oxide?
The canonical SMILES for potassium 1-cyano-N-hydroxy-1-phenylmethanimine oxide is N#C/C(c1ccccc1)=[N+](/[O-])O.[K+].
What is the InChIKey of potassium 1-cyano-N-hydroxy-1-phenylmethanimine oxide?
The InChIKey is NXQJYGGAWNMIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.K/c9-6-8(10(11)12)7-4-2-1-3-5-7;/h1-5H,(H,11,12);/q;+1.
What are the key properties of potassium 1-cyano-N-hydroxy-1-phenylmethanimine oxide?
potassium 1-cyano-N-hydroxy-1-phenylmethanimine oxide has a molecular weight of 201.25 g/mol, XLogP of -2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-cyano-N-hydroxy-1-phenylmethanimine oxide is sourced from PubChem (CID 54610878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).