(2-methoxy-2-oxoethyl)imino-methyliminoazanium

C4H8N3O2+ — CID 147997738

IUPAC(2-methoxy-2-oxoethyl)imino-methyliminoazanium
SMILESCN=[N+]=NCC(=O)OC
InChIInChI=1S/C4H8N3O2/c1-5-7-6-3-4(8)9-2/h3H2,1-2H3/q+1
InChIKeyIWIJXXONGXIKHP-UHFFFAOYSA-N
MW130.13 g/mol
LogP-0.24
Rot. Bonds2

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

(2-methoxy-2-oxoethyl)imino-methyliminoazanium (PubChem CID 147997738) has the molecular formula C4H8N3O2+ and a molecular weight of 130.13 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl)imino-methyliminoazanium.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl)imino-methyliminoazanium
PubChem CID147997738
Molecular FormulaC4H8N3O2+
Molecular Weight130.13 g/mol
Exact Mass130.06
IUPAC Name(2-methoxy-2-oxoethyl)imino-methyliminoazanium
SMILESCN=[N+]=NCC(=O)OC
InChIInChI=1S/C4H8N3O2/c1-5-7-6-3-4(8)9-2/h3H2,1-2H3/q+1
InChIKeyIWIJXXONGXIKHP-UHFFFAOYSA-N
XLogP-0.24
TPSA65.12 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 ≤ 5-0.24
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl)imino-methyliminoazanium?
The IUPAC name of (2-methoxy-2-oxoethyl)imino-methyliminoazanium (CID 147997738) is (2-methoxy-2-oxoethyl)imino-methyliminoazanium.
What is the SMILES notation for (2-methoxy-2-oxoethyl)imino-methyliminoazanium?
The canonical SMILES for (2-methoxy-2-oxoethyl)imino-methyliminoazanium is CN=[N+]=NCC(=O)OC.
What is the InChIKey of (2-methoxy-2-oxoethyl)imino-methyliminoazanium?
The InChIKey is IWIJXXONGXIKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N3O2/c1-5-7-6-3-4(8)9-2/h3H2,1-2H3/q+1.
What are the key properties of (2-methoxy-2-oxoethyl)imino-methyliminoazanium?
(2-methoxy-2-oxoethyl)imino-methyliminoazanium has a molecular weight of 130.13 g/mol, XLogP of -0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl)imino-methyliminoazanium is sourced from PubChem (CID 147997738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).