2-methoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide

C11H13NO3 — CID 12060057

IUPAC2-methoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide
SMILESCOC(=O)/C=[N+](\[O-])[C@H](C)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-9(10-6-4-3-5-7-10)12(14)8-11(13)15-2/h3-9H,1-2H3/b12-8-/t9-/m1/s1
InChIKeyKRSLCIKAWOMVEH-ZPBHHCQCSA-N
MW207.23 g/mol
LogP1.50
Rot. Bonds3

About 2-methoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide

2-methoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide (PubChem CID 12060057) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-methoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide.

Molecular Properties

Compound Name2-methoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide
PubChem CID12060057
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-methoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide
SMILESCOC(=O)/C=[N+](\[O-])[C@H](C)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-9(10-6-4-3-5-7-10)12(14)8-11(13)15-2/h3-9H,1-2H3/b12-8-/t9-/m1/s1
InChIKeyKRSLCIKAWOMVEH-ZPBHHCQCSA-N
XLogP1.50
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Acetic acid, ((1-phenylethyl)imino)-, ethyl ester, (S)-
CID 11469797
ethyl 3,3,3-trifluoro-2-[(1S)-1-phenylethyl]iminopropanoate
CID 24809216
Methyl (2E)-[(diphenylmethyl)imino]acetate
CID 12624354
3,3,3-Trifluoro-2-(1-phenyl-ethylimino)-propionic acid ethyl ester
CID 10945611
N-benzyl-2-methoxy-2-oxoethanimine oxide
CID 10921382
Acetic acid, 2-[[(1R)-1-phenylethyl]imino]-, ethyl ester
CID 10889034
Butyl 2-benzhydryliminoacetate
CID 10935313
(3S)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one
CID 11095432
Tert-butyl 2-benzhydryliminoacetate
CID 11335413
Acetic acid, [(phenylmethyl)imino]-, ethyl ester
CID 11344516
ethyl (2E)-[(diphenylmethyl)imino]ethanoate
CID 11402900
Methyl (2Z)-{[(1R)-1-phenylethyl]imino}acetate
CID 86598924

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide?
The IUPAC name of 2-methoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide (CID 12060057) is 2-methoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide.
What is the SMILES notation for 2-methoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide?
The canonical SMILES for 2-methoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide is COC(=O)/C=[N+](\[O-])[C@H](C)c1ccccc1.
What is the InChIKey of 2-methoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide?
The InChIKey is KRSLCIKAWOMVEH-ZPBHHCQCSA-N. The full InChI is InChI=1S/C11H13NO3/c1-9(10-6-4-3-5-7-10)12(14)8-11(13)15-2/h3-9H,1-2H3/b12-8-/t9-/m1/s1.
What are the key properties of 2-methoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide?
2-methoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide has a molecular weight of 207.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-oxo-N-[(1R)-1-phenylethyl]ethanimine oxide is sourced from PubChem (CID 12060057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).