potassium ethylidene(dioxido)azanium

C2H4KNO2 — CID 12674701

IUPACpotassium ethylidene(dioxido)azanium
SMILESCC=[N+]([O-])[O-].[K+]
InChIInChI=1S/C2H4NO2.K/c1-2-3(4)5;/h2H,1H3;/q-1;+1
InChIKeyWOZFODBTGNAVOV-UHFFFAOYSA-N
MW113.16 g/mol
LogP-2.91
Rot. Bonds

About potassium ethylidene(dioxido)azanium

potassium ethylidene(dioxido)azanium (PubChem CID 12674701) has the molecular formula C2H4KNO2 and a molecular weight of 113.16 g/mol. Its IUPAC name is potassium ethylidene(dioxido)azanium.

Molecular Properties

Compound Namepotassium ethylidene(dioxido)azanium
PubChem CID12674701
Molecular FormulaC2H4KNO2
Molecular Weight113.16 g/mol
Exact Mass112.99
IUPAC Namepotassium ethylidene(dioxido)azanium
SMILESCC=[N+]([O-])[O-].[K+]
InChIInChI=1S/C2H4NO2.K/c1-2-3(4)5;/h2H,1H3;/q-1;+1
InChIKeyWOZFODBTGNAVOV-UHFFFAOYSA-N
XLogP-2.91
TPSA49.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-2.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 ethylidene(dioxido)azanium?
The IUPAC name of potassium ethylidene(dioxido)azanium (CID 12674701) is potassium ethylidene(dioxido)azanium.
What is the SMILES notation for potassium ethylidene(dioxido)azanium?
The canonical SMILES for potassium ethylidene(dioxido)azanium is CC=[N+]([O-])[O-].[K+].
What is the InChIKey of potassium ethylidene(dioxido)azanium?
The InChIKey is WOZFODBTGNAVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4NO2.K/c1-2-3(4)5;/h2H,1H3;/q-1;+1.
What are the key properties of potassium ethylidene(dioxido)azanium?
potassium ethylidene(dioxido)azanium has a molecular weight of 113.16 g/mol, XLogP of -2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium ethylidene(dioxido)azanium is sourced from PubChem (CID 12674701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).