acetyl(oxido)azanium

C2H5NO2 — CID 21251100

IUPACacetyl(oxido)azanium
SMILESCC(=O)[NH2+][O-]
InChIInChI=1S/C2H5NO2/c1-2(4)3-5/h3H2,1H3
InChIKeyXEEPIUCLQHSPMZ-UHFFFAOYSA-N
MW75.07 g/mol
LogP-1.41
Rot. Bonds

About acetyl(oxido)azanium

acetyl(oxido)azanium (PubChem CID 21251100) has the molecular formula C2H5NO2 and a molecular weight of 75.07 g/mol. Its IUPAC name is acetyl(oxido)azanium.

Molecular Properties

Compound Nameacetyl(oxido)azanium
PubChem CID21251100
Molecular FormulaC2H5NO2
Molecular Weight75.07 g/mol
Exact Mass75.03
IUPAC Nameacetyl(oxido)azanium
SMILESCC(=O)[NH2+][O-]
InChIInChI=1S/C2H5NO2/c1-2(4)3-5/h3H2,1H3
InChIKeyXEEPIUCLQHSPMZ-UHFFFAOYSA-N
XLogP-1.41
TPSA56.74 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 ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetohydroxamic Acid
CID 1990
N-Hydroxypropanamide
CID 75743
N-Methoxyacetamide
CID 138591
Acetylazanyl acetate
CID 134635
N-ethoxyacetamide
CID 13085350
N-oxidoacetamide
CID 12010866
propionamide-N-oxide
CID 129701587
2-Acetylaminohydroxylamin
CID 129712925
N-(trifluoromethoxy)acetamide
CID 145063070
Acetamido hypofluorite
CID 143778209
N-hydroxyacetamide;iron(3+)
CID 10129970
Acetamido sulfite
CID 22164066

Frequently Asked Questions

What is the IUPAC name of acetyl(oxido)azanium?
The IUPAC name of acetyl(oxido)azanium (CID 21251100) is acetyl(oxido)azanium.
What is the SMILES notation for acetyl(oxido)azanium?
The canonical SMILES for acetyl(oxido)azanium is CC(=O)[NH2+][O-].
What is the InChIKey of acetyl(oxido)azanium?
The InChIKey is XEEPIUCLQHSPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2/c1-2(4)3-5/h3H2,1H3.
What are the key properties of acetyl(oxido)azanium?
acetyl(oxido)azanium has a molecular weight of 75.07 g/mol, XLogP of -1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(oxido)azanium is sourced from PubChem (CID 21251100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).