(2-ethoxy-2-oxoethyl)imino-iminoazanium

C4H8N3O2+ — CID 6332328

IUPAC(2-ethoxy-2-oxoethyl)imino-iminoazanium
SMILESCCOC(=O)CN=[N+]=N
InChIInChI=1S/C4H8N3O2/c1-2-9-4(8)3-6-7-5/h5H,2-3H2,1H3/q+1
InChIKeyWKYYNNWBGONDDE-UHFFFAOYSA-N
MW130.13 g/mol
LogP0.10
Rot. Bonds3

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

(2-ethoxy-2-oxoethyl)imino-iminoazanium (PubChem CID 6332328) has the molecular formula C4H8N3O2+ and a molecular weight of 130.13 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)imino-iminoazanium.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)imino-iminoazanium
PubChem CID6332328
Molecular FormulaC4H8N3O2+
Molecular Weight130.13 g/mol
Exact Mass130.06
IUPAC Name(2-ethoxy-2-oxoethyl)imino-iminoazanium
SMILESCCOC(=O)CN=[N+]=N
InChIInChI=1S/C4H8N3O2/c1-2-9-4(8)3-6-7-5/h5H,2-3H2,1H3/q+1
InChIKeyWKYYNNWBGONDDE-UHFFFAOYSA-N
XLogP0.10
TPSA76.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.13
LogP ≤ 50.10
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'}

Analyze (2-ethoxy-2-oxoethyl)imino-iminoazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl)imino-iminoazanium?
The IUPAC name of (2-ethoxy-2-oxoethyl)imino-iminoazanium (CID 6332328) is (2-ethoxy-2-oxoethyl)imino-iminoazanium.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)imino-iminoazanium?
The canonical SMILES for (2-ethoxy-2-oxoethyl)imino-iminoazanium is CCOC(=O)CN=[N+]=N.
What is the InChIKey of (2-ethoxy-2-oxoethyl)imino-iminoazanium?
The InChIKey is WKYYNNWBGONDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N3O2/c1-2-9-4(8)3-6-7-5/h5H,2-3H2,1H3/q+1.
What are the key properties of (2-ethoxy-2-oxoethyl)imino-iminoazanium?
(2-ethoxy-2-oxoethyl)imino-iminoazanium has a molecular weight of 130.13 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)imino-iminoazanium is sourced from PubChem (CID 6332328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).