methyl (2E)-2-phenylmethoxyiminoacetate

C10H11NO3 — CID 11106217

IUPACmethyl (2E)-2-phenylmethoxyiminoacetate
SMILESCOC(=O)/C=N/OCc1ccccc1
InChIInChI=1S/C10H11NO3/c1-13-10(12)7-11-14-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3/b11-7+
InChIKeyCVWGSVGJXHIXTE-YRNVUSSQSA-N
MW193.20 g/mol
LogP1.36
Rot. Bonds4

About methyl (2E)-2-phenylmethoxyiminoacetate

methyl (2E)-2-phenylmethoxyiminoacetate (PubChem CID 11106217) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl (2E)-2-phenylmethoxyiminoacetate.

Molecular Properties

Compound Namemethyl (2E)-2-phenylmethoxyiminoacetate
PubChem CID11106217
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl (2E)-2-phenylmethoxyiminoacetate
SMILESCOC(=O)/C=N/OCc1ccccc1
InChIInChI=1S/C10H11NO3/c1-13-10(12)7-11-14-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3/b11-7+
InChIKeyCVWGSVGJXHIXTE-YRNVUSSQSA-N
XLogP1.36
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzyl diazoacetate
CID 53945932
[(E)-Benzyloxyimino]-acetic acid
CID 13210058
N-phenylmethoxymethanimine
CID 561610
Pentanal O-benzyloxime
CID 9602269
2-[Fluoro(phenyl)methoxy]iminoacetaldehyde
CID 91156465
tert-butyl (2E)-2-phenylmethoxyiminoacetate
CID 11009921
ethyl (2E)-2-phenylmethoxyiminoacetate
CID 24744406
(E)-N-phenylmethoxyethanimine
CID 11019027
(E)-N-phenylmethoxypropan-1-imine
CID 11789542
Methyl 3-[(benzyloxy)amino]-2,2-dimethylpropanoate
CID 13184082
(2E)-2-[(benzyloxy)imino]acetic acid
CID 51894610
acetaldehyde O-benzyloxime
CID 53920504

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-phenylmethoxyiminoacetate?
The IUPAC name of methyl (2E)-2-phenylmethoxyiminoacetate (CID 11106217) is methyl (2E)-2-phenylmethoxyiminoacetate.
What is the SMILES notation for methyl (2E)-2-phenylmethoxyiminoacetate?
The canonical SMILES for methyl (2E)-2-phenylmethoxyiminoacetate is COC(=O)/C=N/OCc1ccccc1.
What is the InChIKey of methyl (2E)-2-phenylmethoxyiminoacetate?
The InChIKey is CVWGSVGJXHIXTE-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-10(12)7-11-14-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3/b11-7+.
What are the key properties of methyl (2E)-2-phenylmethoxyiminoacetate?
methyl (2E)-2-phenylmethoxyiminoacetate has a molecular weight of 193.20 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-phenylmethoxyiminoacetate is sourced from PubChem (CID 11106217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).