imino-(2-methoxy-2-oxoethyl)iminoazanium

C3H6N3O2+ — CID 146893171

IUPACimino-(2-methoxy-2-oxoethyl)iminoazanium
SMILESCOC(=O)CN=[N+]=N
InChIInChI=1S/C3H6N3O2/c1-8-3(7)2-5-6-4/h4H,2H2,1H3/q+1
InChIKeyTVADRETVYGWDJB-UHFFFAOYSA-N
MW116.10 g/mol
LogP-0.29
Rot. Bonds2

About imino-(2-methoxy-2-oxoethyl)iminoazanium

imino-(2-methoxy-2-oxoethyl)iminoazanium (PubChem CID 146893171) has the molecular formula C3H6N3O2+ and a molecular weight of 116.10 g/mol. Its IUPAC name is imino-(2-methoxy-2-oxoethyl)iminoazanium.

Molecular Properties

Compound Nameimino-(2-methoxy-2-oxoethyl)iminoazanium
PubChem CID146893171
Molecular FormulaC3H6N3O2+
Molecular Weight116.10 g/mol
Exact Mass116.05
IUPAC Nameimino-(2-methoxy-2-oxoethyl)iminoazanium
SMILESCOC(=O)CN=[N+]=N
InChIInChI=1S/C3H6N3O2/c1-8-3(7)2-5-6-4/h4H,2H2,1H3/q+1
InChIKeyTVADRETVYGWDJB-UHFFFAOYSA-N
XLogP-0.29
TPSA76.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.10
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-azidoacetate
CID 4020482
Methyl iminoglycinate
CID 15502652
Methyl alpha-azidoglycinate
CID 150162747
(2-Ethoxy-2-oxoethyl)imino-iminoazanium
CID 6332328
Ethyl 2-diazenylacetate
CID 15212472
(2-Methoxy-2-oxoethyl)azaniumylideneazanide
CID 59937171
2-(Diazonioamino)-1-methoxy-1-oxoethane
CID 89160852
CID 89998361
CID 89998361
Methyl 2-azidoacetate azide
CID 89998362
Methyl 2-(aminodiazenyl)acetate
CID 90211553
(2-Methoxy-2-oxoethyl)iminoazanium
CID 142018409
(2-Methoxy-2-oxoethyl)imino-methyliminoazanium
CID 147997738

Frequently Asked Questions

What is the IUPAC name of imino-(2-methoxy-2-oxoethyl)iminoazanium?
The IUPAC name of imino-(2-methoxy-2-oxoethyl)iminoazanium (CID 146893171) is imino-(2-methoxy-2-oxoethyl)iminoazanium.
What is the SMILES notation for imino-(2-methoxy-2-oxoethyl)iminoazanium?
The canonical SMILES for imino-(2-methoxy-2-oxoethyl)iminoazanium is COC(=O)CN=[N+]=N.
What is the InChIKey of imino-(2-methoxy-2-oxoethyl)iminoazanium?
The InChIKey is TVADRETVYGWDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N3O2/c1-8-3(7)2-5-6-4/h4H,2H2,1H3/q+1.
What are the key properties of imino-(2-methoxy-2-oxoethyl)iminoazanium?
imino-(2-methoxy-2-oxoethyl)iminoazanium has a molecular weight of 116.10 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-(2-methoxy-2-oxoethyl)iminoazanium is sourced from PubChem (CID 146893171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).