acetyloxymethylimino-methyl-oxidoazanium

C4H8N2O3 — CID 11606

IUPACacetyloxymethylimino-methyl-oxidoazanium
SMILESCC(=O)OCN=[N+](C)[O-]
InChIInChI=1S/C4H8N2O3/c1-4(7)9-3-5-6(2)8/h3H2,1-2H3
InChIKeyBELPJCDYWUCHKF-UHFFFAOYSA-N
MW132.12 g/mol
LogP0.10
Rot. Bonds2

About acetyloxymethylimino-methyl-oxidoazanium

acetyloxymethylimino-methyl-oxidoazanium (PubChem CID 11606) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is acetyloxymethylimino-methyl-oxidoazanium.

Molecular Properties

Compound Nameacetyloxymethylimino-methyl-oxidoazanium
PubChem CID11606
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Nameacetyloxymethylimino-methyl-oxidoazanium
SMILESCC(=O)OCN=[N+](C)[O-]
InChIInChI=1S/C4H8N2O3/c1-4(7)9-3-5-6(2)8/h3H2,1-2H3
InChIKeyBELPJCDYWUCHKF-UHFFFAOYSA-N
XLogP0.10
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze acetyloxymethylimino-methyl-oxidoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium
CID 175427348
(4-acetyloxy-2,3-dioxobutyl) acetate
CID 10679601
[acetyloxymethyl(nitro)amino]methyl acetate
CID 13352139
2-nitroprop-2-enyl acetate
CID 12651545
acetyloxymethyl acetate;azane
CID 172795061
bis(acetyloxymethyl) propanedioate
CID 59124845
potassium 3,3-dinitropropyl acetate
CID 23314305
(2,2-difluoro-2-nitroethyl) acetate
CID 87849810
(3-hydroxyimino-2-oxobutyl) acetate
CID 131227910
lithium 2-(oxidoamino)ethyl acetate
CID 161258849
acetyloxymethoxymethyl-oxido-propan-2-yliminoazanium
CID 89433534
ethyl acetate;octacontahydrate
CID 173010859

Frequently Asked Questions

What is the IUPAC name of acetyloxymethylimino-methyl-oxidoazanium?
The IUPAC name of acetyloxymethylimino-methyl-oxidoazanium (CID 11606) is acetyloxymethylimino-methyl-oxidoazanium.
What is the SMILES notation for acetyloxymethylimino-methyl-oxidoazanium?
The canonical SMILES for acetyloxymethylimino-methyl-oxidoazanium is CC(=O)OCN=[N+](C)[O-].
What is the InChIKey of acetyloxymethylimino-methyl-oxidoazanium?
The InChIKey is BELPJCDYWUCHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c1-4(7)9-3-5-6(2)8/h3H2,1-2H3.
What are the key properties of acetyloxymethylimino-methyl-oxidoazanium?
acetyloxymethylimino-methyl-oxidoazanium has a molecular weight of 132.12 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethylimino-methyl-oxidoazanium is sourced from PubChem (CID 11606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).