ethyl 2-benzyliminoacetate

C11H13NO2 — CID 11344516

IUPACethyl 2-benzyliminoacetate
SMILESCCOC(=O)/C=N/Cc1ccccc1
InChIInChI=1S/C11H13NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3/b12-9+
InChIKeyJMBOCDZJIKZLTO-FMIVXFBMSA-N
MW191.23 g/mol
LogP1.82
Rot. Bonds4

About ethyl 2-benzyliminoacetate

ethyl 2-benzyliminoacetate (PubChem CID 11344516) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is ethyl 2-benzyliminoacetate.

Molecular Properties

Compound Nameethyl 2-benzyliminoacetate
PubChem CID11344516
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Nameethyl 2-benzyliminoacetate
SMILESCCOC(=O)/C=N/Cc1ccccc1
InChIInChI=1S/C11H13NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3/b12-9+
InChIKeyJMBOCDZJIKZLTO-FMIVXFBMSA-N
XLogP1.82
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.82
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-benzyliminoacetate?
The IUPAC name of ethyl 2-benzyliminoacetate (CID 11344516) is ethyl 2-benzyliminoacetate.
What is the SMILES notation for ethyl 2-benzyliminoacetate?
The canonical SMILES for ethyl 2-benzyliminoacetate is CCOC(=O)/C=N/Cc1ccccc1.
What is the InChIKey of ethyl 2-benzyliminoacetate?
The InChIKey is JMBOCDZJIKZLTO-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3/b12-9+.
What are the key properties of ethyl 2-benzyliminoacetate?
ethyl 2-benzyliminoacetate has a molecular weight of 191.23 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyliminoacetate is sourced from PubChem (CID 11344516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).