ethyl N-hydroxy-2-oxo-2-phenylethanimidate

C10H11NO3 — CID 163663046

IUPACethyl N-hydroxy-2-oxo-2-phenylethanimidate
SMILESCCOC(=NO)C(=O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-2-14-10(11-13)9(12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3
InChIKeyIWALFGFPZJSRGX-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.69
Rot. Bonds3

About ethyl N-hydroxy-2-oxo-2-phenylethanimidate

ethyl N-hydroxy-2-oxo-2-phenylethanimidate (PubChem CID 163663046) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is ethyl N-hydroxy-2-oxo-2-phenylethanimidate.

Molecular Properties

Compound Nameethyl N-hydroxy-2-oxo-2-phenylethanimidate
PubChem CID163663046
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Nameethyl N-hydroxy-2-oxo-2-phenylethanimidate
SMILESCCOC(=NO)C(=O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-2-14-10(11-13)9(12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3
InChIKeyIWALFGFPZJSRGX-UHFFFAOYSA-N
XLogP1.69
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze ethyl N-hydroxy-2-oxo-2-phenylethanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (2Z)-2-hydroxyimino-2-phenylacetate
CID 15075005
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
(2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one
CID 24972949
(E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione
CID 23651793
CID 158970570
CID 158970570
ethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate
CID 102404707
ethyl N-[(1-oxo-1-phenylpropan-2-ylidene)amino]carbamate
CID 5085967
ethyl (2Z,4Z)-2,4-bis(hydroxyimino)-4-phenylbutanoate
CID 139266120
ethyl 2-benzoyl-3-ethoxybut-2-enoate
CID 54223445
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
chloroethane;ethyl benzoate
CID 91175503

Frequently Asked Questions

What is the IUPAC name of ethyl N-hydroxy-2-oxo-2-phenylethanimidate?
The IUPAC name of ethyl N-hydroxy-2-oxo-2-phenylethanimidate (CID 163663046) is ethyl N-hydroxy-2-oxo-2-phenylethanimidate.
What is the SMILES notation for ethyl N-hydroxy-2-oxo-2-phenylethanimidate?
The canonical SMILES for ethyl N-hydroxy-2-oxo-2-phenylethanimidate is CCOC(=NO)C(=O)c1ccccc1.
What is the InChIKey of ethyl N-hydroxy-2-oxo-2-phenylethanimidate?
The InChIKey is IWALFGFPZJSRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-14-10(11-13)9(12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3.
What are the key properties of ethyl N-hydroxy-2-oxo-2-phenylethanimidate?
ethyl N-hydroxy-2-oxo-2-phenylethanimidate has a molecular weight of 193.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-hydroxy-2-oxo-2-phenylethanimidate is sourced from PubChem (CID 163663046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).