potassium methanidylimino(oxo)methane

C2H2KNO — CID 151867234

IUPACpotassium methanidylimino(oxo)methane
SMILES[CH2-]N=C=O.[K+]
InChIInChI=1S/C2H2NO.K/c1-3-2-4;/h1H2;/q-1;+1
InChIKeyUXHIHROHPVPJQX-UHFFFAOYSA-N
MW95.14 g/mol
LogP-2.88
Rot. Bonds

About potassium methanidylimino(oxo)methane

potassium methanidylimino(oxo)methane (PubChem CID 151867234) has the molecular formula C2H2KNO and a molecular weight of 95.14 g/mol. Its IUPAC name is potassium methanidylimino(oxo)methane.

Molecular Properties

Compound Namepotassium methanidylimino(oxo)methane
PubChem CID151867234
Molecular FormulaC2H2KNO
Molecular Weight95.14 g/mol
Exact Mass94.98
IUPAC Namepotassium methanidylimino(oxo)methane
SMILES[CH2-]N=C=O.[K+]
InChIInChI=1S/C2H2NO.K/c1-3-2-4;/h1H2;/q-1;+1
InChIKeyUXHIHROHPVPJQX-UHFFFAOYSA-N
XLogP-2.88
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 5-2.88
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'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium methanidylimino(oxo)methane?
The IUPAC name of potassium methanidylimino(oxo)methane (CID 151867234) is potassium methanidylimino(oxo)methane.
What is the SMILES notation for potassium methanidylimino(oxo)methane?
The canonical SMILES for potassium methanidylimino(oxo)methane is [CH2-]N=C=O.[K+].
What is the InChIKey of potassium methanidylimino(oxo)methane?
The InChIKey is UXHIHROHPVPJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2NO.K/c1-3-2-4;/h1H2;/q-1;+1.
What are the key properties of potassium methanidylimino(oxo)methane?
potassium methanidylimino(oxo)methane has a molecular weight of 95.14 g/mol, XLogP of -2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium methanidylimino(oxo)methane is sourced from PubChem (CID 151867234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).