(benzylideneamino) benzoate

C14H11NO2 — CID 72750863

IUPAC(benzylideneamino) benzoate
SMILESO=C(ON=Cc1ccccc1)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
InChIKeyOILVJUHCCAKJGC-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.88
Rot. Bonds3

About (benzylideneamino) benzoate

(benzylideneamino) benzoate (PubChem CID 72750863) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is (benzylideneamino) benzoate.

Molecular Properties

Compound Name(benzylideneamino) benzoate
PubChem CID72750863
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name(benzylideneamino) benzoate
SMILESO=C(ON=Cc1ccccc1)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
InChIKeyOILVJUHCCAKJGC-UHFFFAOYSA-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 (benzylideneamino) benzoate?
The IUPAC name of (benzylideneamino) benzoate (CID 72750863) is (benzylideneamino) benzoate.
What is the SMILES notation for (benzylideneamino) benzoate?
The canonical SMILES for (benzylideneamino) benzoate is O=C(ON=Cc1ccccc1)c1ccccc1.
What is the InChIKey of (benzylideneamino) benzoate?
The InChIKey is OILVJUHCCAKJGC-UHFFFAOYSA-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.
What are the key properties of (benzylideneamino) benzoate?
(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 (benzylideneamino) benzoate is sourced from PubChem (CID 72750863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).