sodium N-hydroxyethanimidate

C2H4NNaO2 — CID 102059901

IUPACsodium N-hydroxyethanimidate
SMILESCC([O-])=NO.[Na+]
InChIInChI=1S/C2H5NO2.Na/c1-2(4)3-5;/h5H,1H3,(H,3,4);/q;+1/p-1
InChIKeyNAPLXXAGJQRTAQ-UHFFFAOYSA-M
MW97.05 g/mol
LogP-3.84
Rot. Bonds

About sodium N-hydroxyethanimidate

sodium N-hydroxyethanimidate (PubChem CID 102059901) has the molecular formula C2H4NNaO2 and a molecular weight of 97.05 g/mol. Its IUPAC name is sodium N-hydroxyethanimidate.

Molecular Properties

Compound Namesodium N-hydroxyethanimidate
PubChem CID102059901
Molecular FormulaC2H4NNaO2
Molecular Weight97.05 g/mol
Exact Mass97.01
IUPAC Namesodium N-hydroxyethanimidate
SMILESCC([O-])=NO.[Na+]
InChIInChI=1S/C2H5NO2.Na/c1-2(4)3-5;/h5H,1H3,(H,3,4);/q;+1/p-1
InChIKeyNAPLXXAGJQRTAQ-UHFFFAOYSA-M
XLogP-3.84
TPSA55.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.05
LogP ≤ 5-3.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 N-hydroxyethanimidate?
The IUPAC name of sodium N-hydroxyethanimidate (CID 102059901) is sodium N-hydroxyethanimidate.
What is the SMILES notation for sodium N-hydroxyethanimidate?
The canonical SMILES for sodium N-hydroxyethanimidate is CC([O-])=NO.[Na+].
What is the InChIKey of sodium N-hydroxyethanimidate?
The InChIKey is NAPLXXAGJQRTAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5NO2.Na/c1-2(4)3-5;/h5H,1H3,(H,3,4);/q;+1/p-1.
What are the key properties of sodium N-hydroxyethanimidate?
sodium N-hydroxyethanimidate has a molecular weight of 97.05 g/mol, XLogP of -3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-hydroxyethanimidate is sourced from PubChem (CID 102059901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).