potassium (2E)-2-cyano-2-hydroxyiminoacetate

C3HKN2O3 — CID 126696371

IUPACpotassium (2E)-2-cyano-2-hydroxyiminoacetate
SMILESN#C/C(=N\O)C(=O)[O-].[K+]
InChIInChI=1S/C3H2N2O3.K/c4-1-2(5-8)3(6)7;/h8H,(H,6,7);/q;+1/p-1/b5-2+;
InChIKeyHOAYEIDTOTYMMW-DPZBITMOSA-M
MW152.15 g/mol
LogP-4.91
Rot. Bonds1

About potassium (2E)-2-cyano-2-hydroxyiminoacetate

potassium (2E)-2-cyano-2-hydroxyiminoacetate (PubChem CID 126696371) has the molecular formula C3HKN2O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is potassium (2E)-2-cyano-2-hydroxyiminoacetate.

Molecular Properties

Compound Namepotassium (2E)-2-cyano-2-hydroxyiminoacetate
PubChem CID126696371
Molecular FormulaC3HKN2O3
Molecular Weight152.15 g/mol
Exact Mass151.96
IUPAC Namepotassium (2E)-2-cyano-2-hydroxyiminoacetate
SMILESN#C/C(=N\O)C(=O)[O-].[K+]
InChIInChI=1S/C3H2N2O3.K/c4-1-2(5-8)3(6)7;/h8H,(H,6,7);/q;+1/p-1/b5-2+;
InChIKeyHOAYEIDTOTYMMW-DPZBITMOSA-M
XLogP-4.91
TPSA96.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-4.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (2E)-2-cyano-2-hydroxyiminoacetate?
The IUPAC name of potassium (2E)-2-cyano-2-hydroxyiminoacetate (CID 126696371) is potassium (2E)-2-cyano-2-hydroxyiminoacetate.
What is the SMILES notation for potassium (2E)-2-cyano-2-hydroxyiminoacetate?
The canonical SMILES for potassium (2E)-2-cyano-2-hydroxyiminoacetate is N#C/C(=N\O)C(=O)[O-].[K+].
What is the InChIKey of potassium (2E)-2-cyano-2-hydroxyiminoacetate?
The InChIKey is HOAYEIDTOTYMMW-DPZBITMOSA-M. The full InChI is InChI=1S/C3H2N2O3.K/c4-1-2(5-8)3(6)7;/h8H,(H,6,7);/q;+1/p-1/b5-2+;.
What are the key properties of potassium (2E)-2-cyano-2-hydroxyiminoacetate?
potassium (2E)-2-cyano-2-hydroxyiminoacetate has a molecular weight of 152.15 g/mol, XLogP of -4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2E)-2-cyano-2-hydroxyiminoacetate is sourced from PubChem (CID 126696371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).