methyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate

C11H13NO3 — CID 10998216

IUPACmethyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1C
InChIInChI=1S/C11H13NO3/c1-8-6-4-5-7-9(8)10(12-15-3)11(13)14-2/h4-7H,1-3H3/b12-10+
InChIKeyYCINJZQUXAFTQD-ZRDIBKRKSA-N
MW207.23 g/mol
LogP1.52
Rot. Bonds3

About methyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate

methyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate (PubChem CID 10998216) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate
PubChem CID10998216
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1C
InChIInChI=1S/C11H13NO3/c1-8-6-4-5-7-9(8)10(12-15-3)11(13)14-2/h4-7H,1-3H3/b12-10+
InChIKeyYCINJZQUXAFTQD-ZRDIBKRKSA-N
XLogP1.52
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.52
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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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate?
The IUPAC name of methyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate (CID 10998216) is methyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate.
What is the SMILES notation for methyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate?
The canonical SMILES for methyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate is CO/N=C(/C(=O)OC)c1ccccc1C.
What is the InChIKey of methyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate?
The InChIKey is YCINJZQUXAFTQD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8-6-4-5-7-9(8)10(12-15-3)11(13)14-2/h4-7H,1-3H3/b12-10+.
What are the key properties of methyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate?
methyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate has a molecular weight of 207.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate is sourced from PubChem (CID 10998216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).