methyl 2-methoxyimino-2-phenylacetate

C10H11NO3 — CID 577152

IUPACmethyl 2-methoxyimino-2-phenylacetate
SMILESCON=C(C(=O)OC)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-13-10(12)9(11-14-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyKAJNDAVRWHCCQS-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.21
Rot. Bonds3

About methyl 2-methoxyimino-2-phenylacetate

methyl 2-methoxyimino-2-phenylacetate (PubChem CID 577152) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 2-methoxyimino-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-methoxyimino-2-phenylacetate
PubChem CID577152
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 2-methoxyimino-2-phenylacetate
SMILESCON=C(C(=O)OC)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-13-10(12)9(11-14-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyKAJNDAVRWHCCQS-UHFFFAOYSA-N
XLogP1.21
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.21
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 2-methoxyimino-2-phenylacetate?
The IUPAC name of methyl 2-methoxyimino-2-phenylacetate (CID 577152) is methyl 2-methoxyimino-2-phenylacetate.
What is the SMILES notation for methyl 2-methoxyimino-2-phenylacetate?
The canonical SMILES for methyl 2-methoxyimino-2-phenylacetate is CON=C(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-methoxyimino-2-phenylacetate?
The InChIKey is KAJNDAVRWHCCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-10(12)9(11-14-2)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of methyl 2-methoxyimino-2-phenylacetate?
methyl 2-methoxyimino-2-phenylacetate has a molecular weight of 193.20 g/mol, XLogP of 1.21, 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-phenylacetate is sourced from PubChem (CID 577152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).