N-hydroxyethanimine oxide

C2H5NO2 — CID 6852034

IUPACN-hydroxyethanimine oxide
SMILESC/C=[N+](\[O-])O
InChIInChI=1S/C2H5NO2/c1-2-3(4)5/h2H,1H3,(H,4,5)
InChIKeyCPZLOQHKKRZRSD-UHFFFAOYSA-N
MW75.07 g/mol
LogP-0.02
Rot. Bonds

About N-hydroxyethanimine oxide

N-hydroxyethanimine oxide (PubChem CID 6852034) has the molecular formula C2H5NO2 and a molecular weight of 75.07 g/mol. Its IUPAC name is N-hydroxyethanimine oxide.

Molecular Properties

Compound NameN-hydroxyethanimine oxide
PubChem CID6852034
Molecular FormulaC2H5NO2
Molecular Weight75.07 g/mol
Exact Mass75.03
IUPAC NameN-hydroxyethanimine oxide
SMILESC/C=[N+](\[O-])O
InChIInChI=1S/C2H5NO2/c1-2-3(4)5/h2H,1H3,(H,4,5)
InChIKeyCPZLOQHKKRZRSD-UHFFFAOYSA-N
XLogP-0.02
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.07
LogP ≤ 5-0.02
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
Glyoxime
CID 135495951
Ethylnitronate
CID 5748355
Pik-Off
CID 135409852
(Z)-acetaldehyde oxime
CID 5324280
Ethanenitronate
CID 3082244
aci-Nitroathan
CID 3082245
Ethanedial, dioxime
CID 135431244
(NZ)-N-[(2Z)-2-hydroxyiminoethylidene]hydroxylamine
CID 135580753
Potassium ethylidene(dioxido)azanium
CID 12674701
Lithium ethylidene(dioxido)azanium
CID 12674703

Frequently Asked Questions

What is the IUPAC name of N-hydroxyethanimine oxide?
The IUPAC name of N-hydroxyethanimine oxide (CID 6852034) is N-hydroxyethanimine oxide.
What is the SMILES notation for N-hydroxyethanimine oxide?
The canonical SMILES for N-hydroxyethanimine oxide is C/C=[N+](\[O-])O.
What is the InChIKey of N-hydroxyethanimine oxide?
The InChIKey is CPZLOQHKKRZRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2/c1-2-3(4)5/h2H,1H3,(H,4,5).
What are the key properties of N-hydroxyethanimine oxide?
N-hydroxyethanimine oxide has a molecular weight of 75.07 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyethanimine oxide is sourced from PubChem (CID 6852034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).