[(E)-[(E)-3-phenylprop-2-enylidene]amino] benzoate

C16H13NO2 — CID 11521655

IUPAC[(E)-[(E)-3-phenylprop-2-enylidene]amino] benzoate
SMILESO=C(O/N=C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13NO2/c18-16(15-11-5-2-6-12-15)19-17-13-7-10-14-8-3-1-4-9-14/h1-13H/b10-7+,17-13+
InChIKeyOEYZREXNWZYJNN-UVZCHINQSA-N
MW251.29 g/mol
LogP3.54
Rot. Bonds4

About [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzoate

[(E)-[(E)-3-phenylprop-2-enylidene]amino] benzoate (PubChem CID 11521655) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzoate.

Molecular Properties

Compound Name[(E)-[(E)-3-phenylprop-2-enylidene]amino] benzoate
PubChem CID11521655
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name[(E)-[(E)-3-phenylprop-2-enylidene]amino] benzoate
SMILESO=C(O/N=C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13NO2/c18-16(15-11-5-2-6-12-15)19-17-13-7-10-14-8-3-1-4-9-14/h1-13H/b10-7+,17-13+
InChIKeyOEYZREXNWZYJNN-UVZCHINQSA-N
XLogP3.54
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.54
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)-[(E)-3-phenylprop-2-enylidene]amino] benzoate?
The IUPAC name of [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzoate (CID 11521655) is [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzoate.
What is the SMILES notation for [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzoate?
The canonical SMILES for [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzoate is O=C(O/N=C/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzoate?
The InChIKey is OEYZREXNWZYJNN-UVZCHINQSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16(15-11-5-2-6-12-15)19-17-13-7-10-14-8-3-1-4-9-14/h1-13H/b10-7+,17-13+.
What are the key properties of [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzoate?
[(E)-[(E)-3-phenylprop-2-enylidene]amino] benzoate has a molecular weight of 251.29 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(E)-3-phenylprop-2-enylidene]amino] benzoate is sourced from PubChem (CID 11521655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).