1-[diazonio(ethyl)amino]oxy-1-oxoethane

C4H8N3O2+ — CID 90943800

IUPAC1-[diazonio(ethyl)amino]oxy-1-oxoethane
SMILESCCN([N+]#N)OC(C)=O
InChIInChI=1S/C4H8N3O2/c1-3-7(6-5)9-4(2)8/h3H2,1-2H3/q+1
InChIKeyBJWMBDVNUMITLH-UHFFFAOYSA-N
MW130.13 g/mol
LogP0.55
Rot. Bonds2

About 1-[diazonio(ethyl)amino]oxy-1-oxoethane

1-[diazonio(ethyl)amino]oxy-1-oxoethane (PubChem CID 90943800) has the molecular formula C4H8N3O2+ and a molecular weight of 130.13 g/mol. Its IUPAC name is 1-[diazonio(ethyl)amino]oxy-1-oxoethane.

Molecular Properties

Compound Name1-[diazonio(ethyl)amino]oxy-1-oxoethane
PubChem CID90943800
Molecular FormulaC4H8N3O2+
Molecular Weight130.13 g/mol
Exact Mass130.06
IUPAC Name1-[diazonio(ethyl)amino]oxy-1-oxoethane
SMILESCCN([N+]#N)OC(C)=O
InChIInChI=1S/C4H8N3O2/c1-3-7(6-5)9-4(2)8/h3H2,1-2H3/q+1
InChIKeyBJWMBDVNUMITLH-UHFFFAOYSA-N
XLogP0.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.13
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 159425404
CID 159425404
(diacetyloxyamino) acetate;iron
CID 174751012
[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane
CID 173013590
[methyl(tridecyl)amino] acetate
CID 87650867
[2-fluoroethyl(methyl)amino] acetate
CID 87464450
[2-ethoxyethyl(ethyl)amino] acetate
CID 175476024
bis[amino(ethyl)amino] oxalate
CID 87351303
alumane;(dihydroxyamino) acetate
CID 174458216
1-[acetyl(diazonio)amino]-1-oxobutane
CID 56618970
ethyl 2-[acetyl(acetyloxy)amino]propanoate
CID 23161671
magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate
CID 175026838
[acetyl(ethyl)amino] methylsulfanylformate
CID 90714758

Frequently Asked Questions

What is the IUPAC name of 1-[diazonio(ethyl)amino]oxy-1-oxoethane?
The IUPAC name of 1-[diazonio(ethyl)amino]oxy-1-oxoethane (CID 90943800) is 1-[diazonio(ethyl)amino]oxy-1-oxoethane.
What is the SMILES notation for 1-[diazonio(ethyl)amino]oxy-1-oxoethane?
The canonical SMILES for 1-[diazonio(ethyl)amino]oxy-1-oxoethane is CCN([N+]#N)OC(C)=O.
What is the InChIKey of 1-[diazonio(ethyl)amino]oxy-1-oxoethane?
The InChIKey is BJWMBDVNUMITLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N3O2/c1-3-7(6-5)9-4(2)8/h3H2,1-2H3/q+1.
What are the key properties of 1-[diazonio(ethyl)amino]oxy-1-oxoethane?
1-[diazonio(ethyl)amino]oxy-1-oxoethane has a molecular weight of 130.13 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diazonio(ethyl)amino]oxy-1-oxoethane is sourced from PubChem (CID 90943800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).