ethyl 2-hydroxyiminobutanoate

C6H11NO3 — CID 6797161

IUPACethyl 2-hydroxyiminobutanoate
SMILESCCOC(=O)C(CC)=NO
InChIInChI=1S/C6H11NO3/c1-3-5(7-9)6(8)10-4-2/h9H,3-4H2,1-2H3
InChIKeyIXWKMXRVEZQGEG-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.79
Rot. Bonds3

About ethyl 2-hydroxyiminobutanoate

ethyl 2-hydroxyiminobutanoate (PubChem CID 6797161) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl 2-hydroxyiminobutanoate.

Molecular Properties

Compound Nameethyl 2-hydroxyiminobutanoate
PubChem CID6797161
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethyl 2-hydroxyiminobutanoate
SMILESCCOC(=O)C(CC)=NO
InChIInChI=1S/C6H11NO3/c1-3-5(7-9)6(8)10-4-2/h9H,3-4H2,1-2H3
InChIKeyIXWKMXRVEZQGEG-UHFFFAOYSA-N
XLogP0.79
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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-hydroxyiminobutanoate?
The IUPAC name of ethyl 2-hydroxyiminobutanoate (CID 6797161) is ethyl 2-hydroxyiminobutanoate.
What is the SMILES notation for ethyl 2-hydroxyiminobutanoate?
The canonical SMILES for ethyl 2-hydroxyiminobutanoate is CCOC(=O)C(CC)=NO.
What is the InChIKey of ethyl 2-hydroxyiminobutanoate?
The InChIKey is IXWKMXRVEZQGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-5(7-9)6(8)10-4-2/h9H,3-4H2,1-2H3.
What are the key properties of ethyl 2-hydroxyiminobutanoate?
ethyl 2-hydroxyiminobutanoate has a molecular weight of 145.16 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxyiminobutanoate is sourced from PubChem (CID 6797161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).