ethyl 2-(4-methylphenyl)iminoacetate

C11H13NO2 — CID 12064859

IUPACethyl 2-(4-methylphenyl)iminoacetate
SMILESCCOC(=O)/C=N/c1ccc(C)cc1
InChIInChI=1S/C11H13NO2/c1-3-14-11(13)8-12-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3/b12-8+
InChIKeyRJWAHTXXKHHVFI-XYOKQWHBSA-N
MW191.23 g/mol
LogP2.26
Rot. Bonds3

About ethyl 2-(4-methylphenyl)iminoacetate

ethyl 2-(4-methylphenyl)iminoacetate (PubChem CID 12064859) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is ethyl 2-(4-methylphenyl)iminoacetate.

Molecular Properties

Compound Nameethyl 2-(4-methylphenyl)iminoacetate
PubChem CID12064859
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Nameethyl 2-(4-methylphenyl)iminoacetate
SMILESCCOC(=O)/C=N/c1ccc(C)cc1
InChIInChI=1S/C11H13NO2/c1-3-14-11(13)8-12-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3/b12-8+
InChIKeyRJWAHTXXKHHVFI-XYOKQWHBSA-N
XLogP2.26
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylphenyl)iminoacetate?
The IUPAC name of ethyl 2-(4-methylphenyl)iminoacetate (CID 12064859) is ethyl 2-(4-methylphenyl)iminoacetate.
What is the SMILES notation for ethyl 2-(4-methylphenyl)iminoacetate?
The canonical SMILES for ethyl 2-(4-methylphenyl)iminoacetate is CCOC(=O)/C=N/c1ccc(C)cc1.
What is the InChIKey of ethyl 2-(4-methylphenyl)iminoacetate?
The InChIKey is RJWAHTXXKHHVFI-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-14-11(13)8-12-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3/b12-8+.
What are the key properties of ethyl 2-(4-methylphenyl)iminoacetate?
ethyl 2-(4-methylphenyl)iminoacetate has a molecular weight of 191.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylphenyl)iminoacetate is sourced from PubChem (CID 12064859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).