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

C11H13NO3 — CID 54500888

IUPACmethyl 2-methoxyimino-2-(2-methylphenyl)acetate
SMILESCON=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
InChIKeyYCINJZQUXAFTQD-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.52
Rot. Bonds3

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

methyl 2-methoxyimino-2-(2-methylphenyl)acetate (PubChem CID 54500888) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 2-methoxyimino-2-(2-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-methoxyimino-2-(2-methylphenyl)acetate
PubChem CID54500888
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 2-methoxyimino-2-(2-methylphenyl)acetate
SMILESCON=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
InChIKeyYCINJZQUXAFTQD-UHFFFAOYSA-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'}

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

CID 70641
CID 70641
CID 7021479
CID 7021479
CID 5866679
CID 5866679
CID 11806789
CID 11806789
CID 5914219
CID 5914219
CID 127047494
CID 127047494
CID 44368851
CID 44368851
CID 53436974
CID 53436974
CID 583156
CID 583156
CID 10691467
CID 10691467
CID 10762649
CID 10762649
CID 44368805
CID 44368805

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxyimino-2-(2-methylphenyl)acetate?
The IUPAC name of methyl 2-methoxyimino-2-(2-methylphenyl)acetate (CID 54500888) is methyl 2-methoxyimino-2-(2-methylphenyl)acetate.
What is the SMILES notation for methyl 2-methoxyimino-2-(2-methylphenyl)acetate?
The canonical SMILES for methyl 2-methoxyimino-2-(2-methylphenyl)acetate is CON=C(C(=O)OC)c1ccccc1C.
What is the InChIKey of methyl 2-methoxyimino-2-(2-methylphenyl)acetate?
The InChIKey is YCINJZQUXAFTQD-UHFFFAOYSA-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.
What are the key properties of methyl 2-methoxyimino-2-(2-methylphenyl)acetate?
methyl 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 2-methoxyimino-2-(2-methylphenyl)acetate is sourced from PubChem (CID 54500888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).