ethyl (2E)-2-hydroxyiminobut-3-enoate

C6H9NO3 — CID 138059477

IUPACethyl (2E)-2-hydroxyiminobut-3-enoate
SMILESC=C/C(=N\O)C(=O)OCC
InChIInChI=1S/C6H9NO3/c1-3-5(7-9)6(8)10-4-2/h3,9H,1,4H2,2H3/b7-5+
InChIKeyIVPMUFNXWYSMBH-FNORWQNLSA-N
MW143.14 g/mol
LogP0.57
Rot. Bonds3

About ethyl (2E)-2-hydroxyiminobut-3-enoate

ethyl (2E)-2-hydroxyiminobut-3-enoate (PubChem CID 138059477) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is ethyl (2E)-2-hydroxyiminobut-3-enoate.

Molecular Properties

Compound Nameethyl (2E)-2-hydroxyiminobut-3-enoate
PubChem CID138059477
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Nameethyl (2E)-2-hydroxyiminobut-3-enoate
SMILESC=C/C(=N\O)C(=O)OCC
InChIInChI=1S/C6H9NO3/c1-3-5(7-9)6(8)10-4-2/h3,9H,1,4H2,2H3/b7-5+
InChIKeyIVPMUFNXWYSMBH-FNORWQNLSA-N
XLogP0.57
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.57
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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Related Compounds

ethyl (2E)-2-(1-bromoethenylimino)but-3-enoate
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ethyl 2-ethenylbut-2-enoate
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ethyl (2E)-2-amino-2-hydroxyiminoacetate
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ethyl 3-bromo-2-iodoprop-2-enoate
CID 71382250
ethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate
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CID 54721321
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
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ethyl prop-2-enoate;hydroiodide
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CID 87359594

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-hydroxyiminobut-3-enoate?
The IUPAC name of ethyl (2E)-2-hydroxyiminobut-3-enoate (CID 138059477) is ethyl (2E)-2-hydroxyiminobut-3-enoate.
What is the SMILES notation for ethyl (2E)-2-hydroxyiminobut-3-enoate?
The canonical SMILES for ethyl (2E)-2-hydroxyiminobut-3-enoate is C=C/C(=N\O)C(=O)OCC.
What is the InChIKey of ethyl (2E)-2-hydroxyiminobut-3-enoate?
The InChIKey is IVPMUFNXWYSMBH-FNORWQNLSA-N. The full InChI is InChI=1S/C6H9NO3/c1-3-5(7-9)6(8)10-4-2/h3,9H,1,4H2,2H3/b7-5+.
What are the key properties of ethyl (2E)-2-hydroxyiminobut-3-enoate?
ethyl (2E)-2-hydroxyiminobut-3-enoate has a molecular weight of 143.14 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-hydroxyiminobut-3-enoate is sourced from PubChem (CID 138059477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).