N-acetyl-N-hydroxy-1-oxoethanamine oxide

C4H7NO4 — CID 87956195

IUPACN-acetyl-N-hydroxy-1-oxoethanamine oxide
SMILESCC(=O)[N+]([O-])(O)C(C)=O
InChIInChI=1S/C4H7NO4/c1-3(6)5(8,9)4(2)7/h8H,1-2H3
InChIKeyJFASOSDICGUDFL-UHFFFAOYSA-N
MW133.10 g/mol
LogP-0.22
Rot. Bonds

About N-acetyl-N-hydroxy-1-oxoethanamine oxide

N-acetyl-N-hydroxy-1-oxoethanamine oxide (PubChem CID 87956195) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is N-acetyl-N-hydroxy-1-oxoethanamine oxide.

Molecular Properties

Compound NameN-acetyl-N-hydroxy-1-oxoethanamine oxide
PubChem CID87956195
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC NameN-acetyl-N-hydroxy-1-oxoethanamine oxide
SMILESCC(=O)[N+]([O-])(O)C(C)=O
InChIInChI=1S/C4H7NO4/c1-3(6)5(8,9)4(2)7/h8H,1-2H3
InChIKeyJFASOSDICGUDFL-UHFFFAOYSA-N
XLogP-0.22
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tetraacetylazanium hydroxide
CID 139943330
boranuide;bis(tetramethylazanium);acetate
CID 173250936
CID 158189288
CID 158189288
manganese(3+) diacetate
CID 159209977
(indium(3+)) diacetate
CID 173450278
terbium(3+) acetate
CID 22482914
zirconium acetate
CID 18596
uranium hexaacetate
CID 20541057
tricalcium diacetate
CID 19804487
bis(cobalt(2+));tetraacetate
CID 157121376
CID 170997571
CID 170997571
nonasodium;nonaacetate
CID 173443222

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-hydroxy-1-oxoethanamine oxide?
The IUPAC name of N-acetyl-N-hydroxy-1-oxoethanamine oxide (CID 87956195) is N-acetyl-N-hydroxy-1-oxoethanamine oxide.
What is the SMILES notation for N-acetyl-N-hydroxy-1-oxoethanamine oxide?
The canonical SMILES for N-acetyl-N-hydroxy-1-oxoethanamine oxide is CC(=O)[N+]([O-])(O)C(C)=O.
What is the InChIKey of N-acetyl-N-hydroxy-1-oxoethanamine oxide?
The InChIKey is JFASOSDICGUDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4/c1-3(6)5(8,9)4(2)7/h8H,1-2H3.
What are the key properties of N-acetyl-N-hydroxy-1-oxoethanamine oxide?
N-acetyl-N-hydroxy-1-oxoethanamine oxide has a molecular weight of 133.10 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-hydroxy-1-oxoethanamine oxide is sourced from PubChem (CID 87956195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).