sodium;N-ethylidenehydroxylamine;hydride

C2H6NNaO — CID 174374877

IUPACsodium;N-ethylidenehydroxylamine;hydride
SMILESCC=NO.[H-].[Na+]
InChIInChI=1S/C2H5NO.Na.H/c1-2-3-4;;/h2,4H,1H3;;/q;+1;-1
InChIKeyHQNZBAAXHCYQEL-UHFFFAOYSA-N
MW83.07 g/mol
LogP-2.42
Rot. Bonds

About sodium;N-ethylidenehydroxylamine;hydride

sodium;N-ethylidenehydroxylamine;hydride (PubChem CID 174374877) has the molecular formula C2H6NNaO and a molecular weight of 83.07 g/mol. Its IUPAC name is sodium;N-ethylidenehydroxylamine;hydride.

Molecular Properties

Compound Namesodium;N-ethylidenehydroxylamine;hydride
PubChem CID174374877
Molecular FormulaC2H6NNaO
Molecular Weight83.07 g/mol
Exact Mass83.03
IUPAC Namesodium;N-ethylidenehydroxylamine;hydride
SMILESCC=NO.[H-].[Na+]
InChIInChI=1S/C2H5NO.Na.H/c1-2-3-4;;/h2,4H,1H3;;/q;+1;-1
InChIKeyHQNZBAAXHCYQEL-UHFFFAOYSA-N
XLogP-2.42
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.07
LogP ≤ 5-2.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
Acetaldehyde oxime, (1E)-
CID 5324279
Propionaldehyde oxime
CID 641641
(1z)-Propanal Oxime
CID 5324472
(Z)-acetaldehyde oxime
CID 5324280
N-propylidenehydroxylamine
CID 5324471
Ethanenitronate
CID 3082244
aci-Nitroathan
CID 3082245
Ethylnitronate ylide
CID 6852034
(Ethylideneamino) hypofluorite
CID 174605891
Acetaldoxime hydrofluoride
CID 129803242
(NZ)-N-(1-deuterioethylidene)hydroxylamine
CID 134886249

Frequently Asked Questions

What is the IUPAC name of sodium;N-ethylidenehydroxylamine;hydride?
The IUPAC name of sodium;N-ethylidenehydroxylamine;hydride (CID 174374877) is sodium;N-ethylidenehydroxylamine;hydride.
What is the SMILES notation for sodium;N-ethylidenehydroxylamine;hydride?
The canonical SMILES for sodium;N-ethylidenehydroxylamine;hydride is CC=NO.[H-].[Na+].
What is the InChIKey of sodium;N-ethylidenehydroxylamine;hydride?
The InChIKey is HQNZBAAXHCYQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.Na.H/c1-2-3-4;;/h2,4H,1H3;;/q;+1;-1.
What are the key properties of sodium;N-ethylidenehydroxylamine;hydride?
sodium;N-ethylidenehydroxylamine;hydride has a molecular weight of 83.07 g/mol, XLogP of -2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-ethylidenehydroxylamine;hydride is sourced from PubChem (CID 174374877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).