4-(benzylideneamino)benzoic acid

C14H11NO2 — CID 687887

IUPAC4-(benzylideneamino)benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2ccccc2)cc1
InChIInChI=1S/C14H11NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H,(H,16,17)/b15-10+
InChIKeyMREPJQZHXSDMKL-XNTDXEJSSA-N
MW225.25 g/mol
LogP3.14
Rot. Bonds3

About 4-(benzylideneamino)benzoic acid

4-(benzylideneamino)benzoic acid (PubChem CID 687887) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(benzylideneamino)benzoic acid.

Molecular Properties

Compound Name4-(benzylideneamino)benzoic acid
PubChem CID687887
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name4-(benzylideneamino)benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2ccccc2)cc1
InChIInChI=1S/C14H11NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H,(H,16,17)/b15-10+
InChIKeyMREPJQZHXSDMKL-XNTDXEJSSA-N
XLogP3.14
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(benzylideneamino)benzoic acid?
The IUPAC name of 4-(benzylideneamino)benzoic acid (CID 687887) is 4-(benzylideneamino)benzoic acid.
What is the SMILES notation for 4-(benzylideneamino)benzoic acid?
The canonical SMILES for 4-(benzylideneamino)benzoic acid is O=C(O)c1ccc(/N=C/c2ccccc2)cc1.
What is the InChIKey of 4-(benzylideneamino)benzoic acid?
The InChIKey is MREPJQZHXSDMKL-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H,(H,16,17)/b15-10+.
What are the key properties of 4-(benzylideneamino)benzoic acid?
4-(benzylideneamino)benzoic acid has a molecular weight of 225.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylideneamino)benzoic acid is sourced from PubChem (CID 687887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).