1-ethoxy-1-oxopropane-2-diazonium

C5H9N2O2+ — CID 91448571

IUPAC1-ethoxy-1-oxopropane-2-diazonium
SMILESCCOC(=O)C(C)[N+]#N
InChIInChI=1S/C5H9N2O2/c1-3-9-5(8)4(2)7-6/h4H,3H2,1-2H3/q+1
InChIKeyKEKKWAHEGPXAOC-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.79
Rot. Bonds2

About 1-ethoxy-1-oxopropane-2-diazonium

1-ethoxy-1-oxopropane-2-diazonium (PubChem CID 91448571) has the molecular formula C5H9N2O2+ and a molecular weight of 129.14 g/mol. Its IUPAC name is 1-ethoxy-1-oxopropane-2-diazonium.

Molecular Properties

Compound Name1-ethoxy-1-oxopropane-2-diazonium
PubChem CID91448571
Molecular FormulaC5H9N2O2+
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name1-ethoxy-1-oxopropane-2-diazonium
SMILESCCOC(=O)C(C)[N+]#N
InChIInChI=1S/C5H9N2O2/c1-3-9-5(8)4(2)7-6/h4H,3H2,1-2H3/q+1
InChIKeyKEKKWAHEGPXAOC-UHFFFAOYSA-N
XLogP0.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

Analyze 1-ethoxy-1-oxopropane-2-diazonium 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

ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
diethyl 2-methylpropanedioate;zirconium
CID 174876844
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
[(2R)-1-ethoxy-1-oxopropan-2-yl]azanium
CID 6932860
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
ethyl (2R)-2-bromopropanoate
CID 7003709
ethyl 2-ethylbutanoate;λ2-stannane
CID 175348208
ethyl (2R)-4-methyl-2-propan-2-yloxypentanoate
CID 89114303
ethyl 2-fluoro-2-propan-2-yloxyacetate
CID 79357119
sodium;ethyl 2-ethylbutanoate;hydride
CID 174848178
ethyl 2,3-dimethylpentanoate
CID 55255239
ethyl (2S)-2-aminopropanoate;molecular hydrogen
CID 145195719

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-oxopropane-2-diazonium?
The IUPAC name of 1-ethoxy-1-oxopropane-2-diazonium (CID 91448571) is 1-ethoxy-1-oxopropane-2-diazonium.
What is the SMILES notation for 1-ethoxy-1-oxopropane-2-diazonium?
The canonical SMILES for 1-ethoxy-1-oxopropane-2-diazonium is CCOC(=O)C(C)[N+]#N.
What is the InChIKey of 1-ethoxy-1-oxopropane-2-diazonium?
The InChIKey is KEKKWAHEGPXAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N2O2/c1-3-9-5(8)4(2)7-6/h4H,3H2,1-2H3/q+1.
What are the key properties of 1-ethoxy-1-oxopropane-2-diazonium?
1-ethoxy-1-oxopropane-2-diazonium has a molecular weight of 129.14 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-oxopropane-2-diazonium is sourced from PubChem (CID 91448571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).