(2-ethoxy-2-oxoethyl)-methylidyneazanium

C5H8NO2+ — CID 6328862

IUPAC(2-ethoxy-2-oxoethyl)-methylidyneazanium
SMILESC#[N+]CC(=O)OCC
InChIInChI=1S/C5H8NO2/c1-3-8-5(7)4-6-2/h2H,3-4H2,1H3/q+1
InChIKeyDHQUTKXOJNIMQY-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.51
Rot. Bonds2

About (2-ethoxy-2-oxoethyl)-methylidyneazanium

(2-ethoxy-2-oxoethyl)-methylidyneazanium (PubChem CID 6328862) has the molecular formula C5H8NO2+ and a molecular weight of 114.12 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)-methylidyneazanium.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)-methylidyneazanium
PubChem CID6328862
Molecular FormulaC5H8NO2+
Molecular Weight114.12 g/mol
Exact Mass114.05
IUPAC Name(2-ethoxy-2-oxoethyl)-methylidyneazanium
SMILESC#[N+]CC(=O)OCC
InChIInChI=1S/C5H8NO2/c1-3-8-5(7)4-6-2/h2H,3-4H2,1H3/q+1
InChIKeyDHQUTKXOJNIMQY-UHFFFAOYSA-N
XLogP0.51
TPSA30.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl)-methylidyneazanium?
The IUPAC name of (2-ethoxy-2-oxoethyl)-methylidyneazanium (CID 6328862) is (2-ethoxy-2-oxoethyl)-methylidyneazanium.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)-methylidyneazanium?
The canonical SMILES for (2-ethoxy-2-oxoethyl)-methylidyneazanium is C#[N+]CC(=O)OCC.
What is the InChIKey of (2-ethoxy-2-oxoethyl)-methylidyneazanium?
The InChIKey is DHQUTKXOJNIMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO2/c1-3-8-5(7)4-6-2/h2H,3-4H2,1H3/q+1.
What are the key properties of (2-ethoxy-2-oxoethyl)-methylidyneazanium?
(2-ethoxy-2-oxoethyl)-methylidyneazanium has a molecular weight of 114.12 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)-methylidyneazanium is sourced from PubChem (CID 6328862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).