acetylimino(methylidene)azanium

C3H5N2O+ — CID 23385585

IUPACacetylimino(methylidene)azanium
SMILESC=[N+]=NC(C)=O
InChIInChI=1S/C3H5N2O/c1-3(6)5-4-2/h2H2,1H3/q+1
InChIKeyDMRAXAQCMANPLR-UHFFFAOYSA-N
MW85.09 g/mol
LogP-0.11
Rot. Bonds

About acetylimino(methylidene)azanium

acetylimino(methylidene)azanium (PubChem CID 23385585) has the molecular formula C3H5N2O+ and a molecular weight of 85.09 g/mol. Its IUPAC name is acetylimino(methylidene)azanium.

Molecular Properties

Compound Nameacetylimino(methylidene)azanium
PubChem CID23385585
Molecular FormulaC3H5N2O+
Molecular Weight85.09 g/mol
Exact Mass85.04
IUPAC Nameacetylimino(methylidene)azanium
SMILESC=[N+]=NC(C)=O
InChIInChI=1S/C3H5N2O/c1-3(6)5-4-2/h2H2,1H3/q+1
InChIKeyDMRAXAQCMANPLR-UHFFFAOYSA-N
XLogP-0.11
TPSA43.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.09
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methylidene(propanoylimino)azanium
CID 157392884
CID 131870939
CID 131870939
CID 131883821
CID 131883821
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ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
acetic acid;N-methylidenehydroxylamine
CID 22247177
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
CID 158189288
CID 158189288

Frequently Asked Questions

What is the IUPAC name of acetylimino(methylidene)azanium?
The IUPAC name of acetylimino(methylidene)azanium (CID 23385585) is acetylimino(methylidene)azanium.
What is the SMILES notation for acetylimino(methylidene)azanium?
The canonical SMILES for acetylimino(methylidene)azanium is C=[N+]=NC(C)=O.
What is the InChIKey of acetylimino(methylidene)azanium?
The InChIKey is DMRAXAQCMANPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N2O/c1-3(6)5-4-2/h2H2,1H3/q+1.
What are the key properties of acetylimino(methylidene)azanium?
acetylimino(methylidene)azanium has a molecular weight of 85.09 g/mol, XLogP of -0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylimino(methylidene)azanium is sourced from PubChem (CID 23385585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).