potassium;2-isocyanoethanone;hydroxide

C3H3KNO2- — CID 140745467

IUPACpotassium;2-isocyanoethanone;hydroxide
SMILES[C-]#[N+]C[C-]=O.[K+].[OH-]
InChIInChI=1S/C3H2NO.K.H2O/c1-4-2-3-5;;/h2H2;;1H2/q-1;+1;/p-1
InChIKeyNCKQZIVVPBVOTF-UHFFFAOYSA-M
MW124.16 g/mol
LogP-3.16
Rot. Bonds1

About potassium;2-isocyanoethanone;hydroxide

potassium;2-isocyanoethanone;hydroxide (PubChem CID 140745467) has the molecular formula C3H3KNO2- and a molecular weight of 124.16 g/mol. Its IUPAC name is potassium;2-isocyanoethanone;hydroxide.

Molecular Properties

Compound Namepotassium;2-isocyanoethanone;hydroxide
PubChem CID140745467
Molecular FormulaC3H3KNO2-
Molecular Weight124.16 g/mol
Exact Mass123.98
IUPAC Namepotassium;2-isocyanoethanone;hydroxide
SMILES[C-]#[N+]C[C-]=O.[K+].[OH-]
InChIInChI=1S/C3H2NO.K.H2O/c1-4-2-3-5;;/h2H2;;1H2/q-1;+1;/p-1
InChIKeyNCKQZIVVPBVOTF-UHFFFAOYSA-M
XLogP-3.16
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 5-3.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium;2-isocyanoethanone;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium;2-isocyanoethanone;hydroxide?
The IUPAC name of potassium;2-isocyanoethanone;hydroxide (CID 140745467) is potassium;2-isocyanoethanone;hydroxide.
What is the SMILES notation for potassium;2-isocyanoethanone;hydroxide?
The canonical SMILES for potassium;2-isocyanoethanone;hydroxide is [C-]#[N+]C[C-]=O.[K+].[OH-].
What is the InChIKey of potassium;2-isocyanoethanone;hydroxide?
The InChIKey is NCKQZIVVPBVOTF-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H2NO.K.H2O/c1-4-2-3-5;;/h2H2;;1H2/q-1;+1;/p-1.
What are the key properties of potassium;2-isocyanoethanone;hydroxide?
potassium;2-isocyanoethanone;hydroxide has a molecular weight of 124.16 g/mol, XLogP of -3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-isocyanoethanone;hydroxide is sourced from PubChem (CID 140745467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).