methyl 2-phenyl-2-phenyliminoacetate

C15H13NO2 — CID 11390792

IUPACmethyl 2-phenyl-2-phenyliminoacetate
SMILESCOC(=O)/C(=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO2/c1-18-15(17)14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3/b16-14-
InChIKeyPROGMGCLUUOFIW-PEZBUJJGSA-N
MW239.27 g/mol
LogP2.98
Rot. Bonds3

About methyl 2-phenyl-2-phenyliminoacetate

methyl 2-phenyl-2-phenyliminoacetate (PubChem CID 11390792) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-phenyl-2-phenyliminoacetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-phenyliminoacetate
PubChem CID11390792
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Namemethyl 2-phenyl-2-phenyliminoacetate
SMILESCOC(=O)/C(=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO2/c1-18-15(17)14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3/b16-14-
InChIKeyPROGMGCLUUOFIW-PEZBUJJGSA-N
XLogP2.98
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-phenyl-2-phenyliminoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-phenyliminoacetate?
The IUPAC name of methyl 2-phenyl-2-phenyliminoacetate (CID 11390792) is methyl 2-phenyl-2-phenyliminoacetate.
What is the SMILES notation for methyl 2-phenyl-2-phenyliminoacetate?
The canonical SMILES for methyl 2-phenyl-2-phenyliminoacetate is COC(=O)/C(=N\c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-phenyliminoacetate?
The InChIKey is PROGMGCLUUOFIW-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-15(17)14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3/b16-14-.
What are the key properties of methyl 2-phenyl-2-phenyliminoacetate?
methyl 2-phenyl-2-phenyliminoacetate has a molecular weight of 239.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-phenyliminoacetate is sourced from PubChem (CID 11390792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).