ethyl 2-ethoxyiminoacetate

C6H11NO3 — CID 53419141

IUPACethyl 2-ethoxyiminoacetate
SMILESCCON=CC(=O)OCC
InChIInChI=1S/C6H11NO3/c1-3-9-6(8)5-7-10-4-2/h5H,3-4H2,1-2H3
InChIKeyOOGIESXDYGABFG-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.57
Rot. Bonds4

About ethyl 2-ethoxyiminoacetate

ethyl 2-ethoxyiminoacetate (PubChem CID 53419141) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl 2-ethoxyiminoacetate.

Molecular Properties

Compound Nameethyl 2-ethoxyiminoacetate
PubChem CID53419141
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethyl 2-ethoxyiminoacetate
SMILESCCON=CC(=O)OCC
InChIInChI=1S/C6H11NO3/c1-3-9-6(8)5-7-10-4-2/h5H,3-4H2,1-2H3
InChIKeyOOGIESXDYGABFG-UHFFFAOYSA-N
XLogP0.57
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxyiminoacetate?
The IUPAC name of ethyl 2-ethoxyiminoacetate (CID 53419141) is ethyl 2-ethoxyiminoacetate.
What is the SMILES notation for ethyl 2-ethoxyiminoacetate?
The canonical SMILES for ethyl 2-ethoxyiminoacetate is CCON=CC(=O)OCC.
What is the InChIKey of ethyl 2-ethoxyiminoacetate?
The InChIKey is OOGIESXDYGABFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-9-6(8)5-7-10-4-2/h5H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethoxyiminoacetate?
ethyl 2-ethoxyiminoacetate has a molecular weight of 145.16 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxyiminoacetate is sourced from PubChem (CID 53419141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).