(2-methoxy-2-oxoethyl)iminoazanium

C3H7N2O2+ — CID 142018409

IUPAC(2-methoxy-2-oxoethyl)iminoazanium
SMILESCOC(=O)CN=[NH2+]
InChIInChI=1S/C3H6N2O2/c1-7-3(6)2-5-4/h4H,2H2,1H3/p+1
InChIKeyDSDQLOREVBBJSP-UHFFFAOYSA-O
MW103.10 g/mol
LogP-1.63
Rot. Bonds2

About (2-methoxy-2-oxoethyl)iminoazanium

(2-methoxy-2-oxoethyl)iminoazanium (PubChem CID 142018409) has the molecular formula C3H7N2O2+ and a molecular weight of 103.10 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl)iminoazanium.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl)iminoazanium
PubChem CID142018409
Molecular FormulaC3H7N2O2+
Molecular Weight103.10 g/mol
Exact Mass103.05
IUPAC Name(2-methoxy-2-oxoethyl)iminoazanium
SMILESCOC(=O)CN=[NH2+]
InChIInChI=1S/C3H6N2O2/c1-7-3(6)2-5-4/h4H,2H2,1H3/p+1
InChIKeyDSDQLOREVBBJSP-UHFFFAOYSA-O
XLogP-1.63
TPSA64.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl)iminoazanium?
The IUPAC name of (2-methoxy-2-oxoethyl)iminoazanium (CID 142018409) is (2-methoxy-2-oxoethyl)iminoazanium.
What is the SMILES notation for (2-methoxy-2-oxoethyl)iminoazanium?
The canonical SMILES for (2-methoxy-2-oxoethyl)iminoazanium is COC(=O)CN=[NH2+].
What is the InChIKey of (2-methoxy-2-oxoethyl)iminoazanium?
The InChIKey is DSDQLOREVBBJSP-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6N2O2/c1-7-3(6)2-5-4/h4H,2H2,1H3/p+1.
What are the key properties of (2-methoxy-2-oxoethyl)iminoazanium?
(2-methoxy-2-oxoethyl)iminoazanium has a molecular weight of 103.10 g/mol, XLogP of -1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl)iminoazanium is sourced from PubChem (CID 142018409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).