(2-ethoxy-2-oxoethylidene)-methylazanium

C5H10NO2+ — CID 164670851

IUPAC(2-ethoxy-2-oxoethylidene)-methylazanium
SMILESCCOC(=O)/C=[NH+]/C
InChIInChI=1S/C5H9NO2/c1-3-8-5(7)4-6-2/h4H,3H2,1-2H3/p+1/b6-4+
InChIKeyCRHXXTBBJJJLAZ-GQCTYLIASA-O
MW116.14 g/mol
LogP-1.67
Rot. Bonds2

About (2-ethoxy-2-oxoethylidene)-methylazanium

(2-ethoxy-2-oxoethylidene)-methylazanium (PubChem CID 164670851) has the molecular formula C5H10NO2+ and a molecular weight of 116.14 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethylidene)-methylazanium.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethylidene)-methylazanium
PubChem CID164670851
Molecular FormulaC5H10NO2+
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name(2-ethoxy-2-oxoethylidene)-methylazanium
SMILESCCOC(=O)/C=[NH+]/C
InChIInChI=1S/C5H9NO2/c1-3-8-5(7)4-6-2/h4H,3H2,1-2H3/p+1/b6-4+
InChIKeyCRHXXTBBJJJLAZ-GQCTYLIASA-O
XLogP-1.67
TPSA40.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethylidene)-methylazanium?
The IUPAC name of (2-ethoxy-2-oxoethylidene)-methylazanium (CID 164670851) is (2-ethoxy-2-oxoethylidene)-methylazanium.
What is the SMILES notation for (2-ethoxy-2-oxoethylidene)-methylazanium?
The canonical SMILES for (2-ethoxy-2-oxoethylidene)-methylazanium is CCOC(=O)/C=[NH+]/C.
What is the InChIKey of (2-ethoxy-2-oxoethylidene)-methylazanium?
The InChIKey is CRHXXTBBJJJLAZ-GQCTYLIASA-O. The full InChI is InChI=1S/C5H9NO2/c1-3-8-5(7)4-6-2/h4H,3H2,1-2H3/p+1/b6-4+.
What are the key properties of (2-ethoxy-2-oxoethylidene)-methylazanium?
(2-ethoxy-2-oxoethylidene)-methylazanium has a molecular weight of 116.14 g/mol, XLogP of -1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethylidene)-methylazanium is sourced from PubChem (CID 164670851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).