potassium N-(2-ethoxy-2-oxoethyl)methanimidate

C5H8KNO3 — CID 23709234

IUPACpotassium N-(2-ethoxy-2-oxoethyl)methanimidate
SMILESCCOC(=O)C/N=C/[O-].[K+]
InChIInChI=1S/C5H9NO3.K/c1-2-9-5(8)3-6-4-7;/h4H,2-3H2,1H3,(H,6,7);/q;+1/p-1
InChIKeyROHUNDQUDKZFSJ-UHFFFAOYSA-M
MW169.22 g/mol
LogP-4.06
Rot. Bonds3

About potassium N-(2-ethoxy-2-oxoethyl)methanimidate

potassium N-(2-ethoxy-2-oxoethyl)methanimidate (PubChem CID 23709234) has the molecular formula C5H8KNO3 and a molecular weight of 169.22 g/mol. Its IUPAC name is potassium N-(2-ethoxy-2-oxoethyl)methanimidate.

Molecular Properties

Compound Namepotassium N-(2-ethoxy-2-oxoethyl)methanimidate
PubChem CID23709234
Molecular FormulaC5H8KNO3
Molecular Weight169.22 g/mol
Exact Mass169.01
IUPAC Namepotassium N-(2-ethoxy-2-oxoethyl)methanimidate
SMILESCCOC(=O)C/N=C/[O-].[K+]
InChIInChI=1S/C5H9NO3.K/c1-2-9-5(8)3-6-4-7;/h4H,2-3H2,1H3,(H,6,7);/q;+1/p-1
InChIKeyROHUNDQUDKZFSJ-UHFFFAOYSA-M
XLogP-4.06
TPSA61.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 5-4.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium N-(2-ethoxy-2-oxoethyl)methanimidate?
The IUPAC name of potassium N-(2-ethoxy-2-oxoethyl)methanimidate (CID 23709234) is potassium N-(2-ethoxy-2-oxoethyl)methanimidate.
What is the SMILES notation for potassium N-(2-ethoxy-2-oxoethyl)methanimidate?
The canonical SMILES for potassium N-(2-ethoxy-2-oxoethyl)methanimidate is CCOC(=O)C/N=C/[O-].[K+].
What is the InChIKey of potassium N-(2-ethoxy-2-oxoethyl)methanimidate?
The InChIKey is ROHUNDQUDKZFSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NO3.K/c1-2-9-5(8)3-6-4-7;/h4H,2-3H2,1H3,(H,6,7);/q;+1/p-1.
What are the key properties of potassium N-(2-ethoxy-2-oxoethyl)methanimidate?
potassium N-(2-ethoxy-2-oxoethyl)methanimidate has a molecular weight of 169.22 g/mol, XLogP of -4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(2-ethoxy-2-oxoethyl)methanimidate is sourced from PubChem (CID 23709234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).