methyl (4E)-4-hydroxyiminopentanoate

C6H11NO3 — CID 5355080

IUPACmethyl (4E)-4-hydroxyiminopentanoate
SMILESCOC(=O)CC/C(C)=N/O
InChIInChI=1S/C6H11NO3/c1-5(7-9)3-4-6(8)10-2/h9H,3-4H2,1-2H3/b7-5+
InChIKeyGZDBBODKUMLVCG-FNORWQNLSA-N
MW145.16 g/mol
LogP0.79
Rot. Bonds3

About methyl (4E)-4-hydroxyiminopentanoate

methyl (4E)-4-hydroxyiminopentanoate (PubChem CID 5355080) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl (4E)-4-hydroxyiminopentanoate.

Molecular Properties

Compound Namemethyl (4E)-4-hydroxyiminopentanoate
PubChem CID5355080
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl (4E)-4-hydroxyiminopentanoate
SMILESCOC(=O)CC/C(C)=N/O
InChIInChI=1S/C6H11NO3/c1-5(7-9)3-4-6(8)10-2/h9H,3-4H2,1-2H3/b7-5+
InChIKeyGZDBBODKUMLVCG-FNORWQNLSA-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 methyl (4E)-4-hydroxyiminopentanoate?
The IUPAC name of methyl (4E)-4-hydroxyiminopentanoate (CID 5355080) is methyl (4E)-4-hydroxyiminopentanoate.
What is the SMILES notation for methyl (4E)-4-hydroxyiminopentanoate?
The canonical SMILES for methyl (4E)-4-hydroxyiminopentanoate is COC(=O)CC/C(C)=N/O.
What is the InChIKey of methyl (4E)-4-hydroxyiminopentanoate?
The InChIKey is GZDBBODKUMLVCG-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(7-9)3-4-6(8)10-2/h9H,3-4H2,1-2H3/b7-5+.
What are the key properties of methyl (4E)-4-hydroxyiminopentanoate?
methyl (4E)-4-hydroxyiminopentanoate 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 methyl (4E)-4-hydroxyiminopentanoate is sourced from PubChem (CID 5355080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).