sodium;N-ethylidenehydroxylamine;hydroxide

C2H6NNaO2 — CID 158783217

IUPACsodium;N-ethylidenehydroxylamine;hydroxide
SMILESCC=NO.[Na+].[OH-]
InChIInChI=1S/C2H5NO.Na.H2O/c1-2-3-4;;/h2,4H,1H3;;1H2/q;+1;/p-1
InChIKeyIRIQLPIGCUUXOB-UHFFFAOYSA-M
MW99.06 g/mol
LogP-2.71
Rot. Bonds

About sodium;N-ethylidenehydroxylamine;hydroxide

sodium;N-ethylidenehydroxylamine;hydroxide (PubChem CID 158783217) has the molecular formula C2H6NNaO2 and a molecular weight of 99.06 g/mol. Its IUPAC name is sodium;N-ethylidenehydroxylamine;hydroxide.

Molecular Properties

Compound Namesodium;N-ethylidenehydroxylamine;hydroxide
PubChem CID158783217
Molecular FormulaC2H6NNaO2
Molecular Weight99.06 g/mol
Exact Mass99.03
IUPAC Namesodium;N-ethylidenehydroxylamine;hydroxide
SMILESCC=NO.[Na+].[OH-]
InChIInChI=1S/C2H5NO.Na.H2O/c1-2-3-4;;/h2,4H,1H3;;1H2/q;+1;/p-1
InChIKeyIRIQLPIGCUUXOB-UHFFFAOYSA-M
XLogP-2.71
TPSA62.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.06
LogP ≤ 5-2.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

Aldoxime
CID 7863
Glyoxime
CID 135495951
Acetaldehyde oxime, (1E)-
CID 5324279
Pik-Off
CID 135409852
Ethylnitronate
CID 5748355
(Z)-acetaldehyde oxime
CID 5324280
Ethanenitronate
CID 3082244
aci-Nitroathan
CID 3082245
Ethylnitronate ylide
CID 6852034
Ethanedial, dioxime
CID 135431244
(NZ)-N-[(2Z)-2-hydroxyiminoethylidene]hydroxylamine
CID 135580753
Acetaldoxime hydrofluoride
CID 129803242

Frequently Asked Questions

What is the IUPAC name of sodium;N-ethylidenehydroxylamine;hydroxide?
The IUPAC name of sodium;N-ethylidenehydroxylamine;hydroxide (CID 158783217) is sodium;N-ethylidenehydroxylamine;hydroxide.
What is the SMILES notation for sodium;N-ethylidenehydroxylamine;hydroxide?
The canonical SMILES for sodium;N-ethylidenehydroxylamine;hydroxide is CC=NO.[Na+].[OH-].
What is the InChIKey of sodium;N-ethylidenehydroxylamine;hydroxide?
The InChIKey is IRIQLPIGCUUXOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5NO.Na.H2O/c1-2-3-4;;/h2,4H,1H3;;1H2/q;+1;/p-1.
What are the key properties of sodium;N-ethylidenehydroxylamine;hydroxide?
sodium;N-ethylidenehydroxylamine;hydroxide has a molecular weight of 99.06 g/mol, XLogP of -2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-ethylidenehydroxylamine;hydroxide is sourced from PubChem (CID 158783217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).