[(E)-benzylideneamino] benzoate

C14H11NO2 — CID 11206881

IUPAC[(E)-benzylideneamino] benzoate
SMILESO=C(O/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11NO2/c16-14(13-9-5-2-6-10-13)17-15-11-12-7-3-1-4-8-12/h1-11H/b15-11+
InChIKeyOILVJUHCCAKJGC-RVDMUPIBSA-N
MW225.25 g/mol
LogP2.88
Rot. Bonds3

About [(E)-benzylideneamino] benzoate

[(E)-benzylideneamino] benzoate (PubChem CID 11206881) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is [(E)-benzylideneamino] benzoate.

Molecular Properties

Compound Name[(E)-benzylideneamino] benzoate
PubChem CID11206881
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name[(E)-benzylideneamino] benzoate
SMILESO=C(O/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11NO2/c16-14(13-9-5-2-6-10-13)17-15-11-12-7-3-1-4-8-12/h1-11H/b15-11+
InChIKeyOILVJUHCCAKJGC-RVDMUPIBSA-N
XLogP2.88
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 [(E)-benzylideneamino] benzoate?
The IUPAC name of [(E)-benzylideneamino] benzoate (CID 11206881) is [(E)-benzylideneamino] benzoate.
What is the SMILES notation for [(E)-benzylideneamino] benzoate?
The canonical SMILES for [(E)-benzylideneamino] benzoate is O=C(O/N=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-benzylideneamino] benzoate?
The InChIKey is OILVJUHCCAKJGC-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14(13-9-5-2-6-10-13)17-15-11-12-7-3-1-4-8-12/h1-11H/b15-11+.
What are the key properties of [(E)-benzylideneamino] benzoate?
[(E)-benzylideneamino] benzoate has a molecular weight of 225.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-benzylideneamino] benzoate is sourced from PubChem (CID 11206881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).