ethyl (E)-N-hydroxybenzenecarboximidate

C9H11NO2 — CID 5381217

IUPACethyl (E)-N-hydroxybenzenecarboximidate
SMILESCCO/C(=N/O)c1ccccc1
InChIInChI=1S/C9H11NO2/c1-2-12-9(10-11)8-6-4-3-5-7-8/h3-7,11H,2H2,1H3/b10-9+
InChIKeyJGVKGYPQYMCAEA-MDZDMXLPSA-N
MW165.19 g/mol
LogP1.86
Rot. Bonds2

About ethyl (E)-N-hydroxybenzenecarboximidate

ethyl (E)-N-hydroxybenzenecarboximidate (PubChem CID 5381217) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is ethyl (E)-N-hydroxybenzenecarboximidate.

Molecular Properties

Compound Nameethyl (E)-N-hydroxybenzenecarboximidate
PubChem CID5381217
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Nameethyl (E)-N-hydroxybenzenecarboximidate
SMILESCCO/C(=N/O)c1ccccc1
InChIInChI=1S/C9H11NO2/c1-2-12-9(10-11)8-6-4-3-5-7-8/h3-7,11H,2H2,1H3/b10-9+
InChIKeyJGVKGYPQYMCAEA-MDZDMXLPSA-N
XLogP1.86
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (E)-N-hydroxybenzenecarboximidate?
The IUPAC name of ethyl (E)-N-hydroxybenzenecarboximidate (CID 5381217) is ethyl (E)-N-hydroxybenzenecarboximidate.
What is the SMILES notation for ethyl (E)-N-hydroxybenzenecarboximidate?
The canonical SMILES for ethyl (E)-N-hydroxybenzenecarboximidate is CCO/C(=N/O)c1ccccc1.
What is the InChIKey of ethyl (E)-N-hydroxybenzenecarboximidate?
The InChIKey is JGVKGYPQYMCAEA-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-12-9(10-11)8-6-4-3-5-7-8/h3-7,11H,2H2,1H3/b10-9+.
What are the key properties of ethyl (E)-N-hydroxybenzenecarboximidate?
ethyl (E)-N-hydroxybenzenecarboximidate has a molecular weight of 165.19 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-N-hydroxybenzenecarboximidate is sourced from PubChem (CID 5381217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).