sodium ethylidene(dioxido)azanium

C2H4NNaO2 — CID 3082244

IUPACsodium ethylidene(dioxido)azanium
SMILESCC=[N+]([O-])[O-].[Na+]
InChIInChI=1S/C2H4NO2.Na/c1-2-3(4)5;/h2H,1H3;/q-1;+1
InChIKeyOKMAYSGIHDUNII-UHFFFAOYSA-N
MW97.05 g/mol
LogP-2.91
Rot. Bonds

About sodium ethylidene(dioxido)azanium

sodium ethylidene(dioxido)azanium (PubChem CID 3082244) has the molecular formula C2H4NNaO2 and a molecular weight of 97.05 g/mol. Its IUPAC name is sodium ethylidene(dioxido)azanium.

Molecular Properties

Compound Namesodium ethylidene(dioxido)azanium
PubChem CID3082244
Molecular FormulaC2H4NNaO2
Molecular Weight97.05 g/mol
Exact Mass97.01
IUPAC Namesodium ethylidene(dioxido)azanium
SMILESCC=[N+]([O-])[O-].[Na+]
InChIInChI=1S/C2H4NO2.Na/c1-2-3(4)5;/h2H,1H3;/q-1;+1
InChIKeyOKMAYSGIHDUNII-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 ≤ 50097.05
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 sodium ethylidene(dioxido)azanium?
The IUPAC name of sodium ethylidene(dioxido)azanium (CID 3082244) is sodium ethylidene(dioxido)azanium.
What is the SMILES notation for sodium ethylidene(dioxido)azanium?
The canonical SMILES for sodium ethylidene(dioxido)azanium is CC=[N+]([O-])[O-].[Na+].
What is the InChIKey of sodium ethylidene(dioxido)azanium?
The InChIKey is OKMAYSGIHDUNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4NO2.Na/c1-2-3(4)5;/h2H,1H3;/q-1;+1.
What are the key properties of sodium ethylidene(dioxido)azanium?
sodium ethylidene(dioxido)azanium has a molecular weight of 97.05 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 sodium ethylidene(dioxido)azanium is sourced from PubChem (CID 3082244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).