[(Z)-3-phenylprop-2-enyl] 2-benzoyliminoacetate

C18H15NO3 — CID 134877424

IUPAC[(Z)-3-phenylprop-2-enyl] 2-benzoyliminoacetate
SMILESO=C(/C=N/C(=O)c1ccccc1)OC/C=C\c1ccccc1
InChIInChI=1S/C18H15NO3/c20-17(14-19-18(21)16-11-5-2-6-12-16)22-13-7-10-15-8-3-1-4-9-15/h1-12,14H,13H2/b10-7-,19-14+
InChIKeyAHHIPGAPBZGGAA-WDDNQKGISA-N
MW293.32 g/mol
LogP3.15
Rot. Bonds5

About [(Z)-3-phenylprop-2-enyl] 2-benzoyliminoacetate

[(Z)-3-phenylprop-2-enyl] 2-benzoyliminoacetate (PubChem CID 134877424) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is [(Z)-3-phenylprop-2-enyl] 2-benzoyliminoacetate.

Molecular Properties

Compound Name[(Z)-3-phenylprop-2-enyl] 2-benzoyliminoacetate
PubChem CID134877424
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name[(Z)-3-phenylprop-2-enyl] 2-benzoyliminoacetate
SMILESO=C(/C=N/C(=O)c1ccccc1)OC/C=C\c1ccccc1
InChIInChI=1S/C18H15NO3/c20-17(14-19-18(21)16-11-5-2-6-12-16)22-13-7-10-15-8-3-1-4-9-15/h1-12,14H,13H2/b10-7-,19-14+
InChIKeyAHHIPGAPBZGGAA-WDDNQKGISA-N
XLogP3.15
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.15
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 [(Z)-3-phenylprop-2-enyl] 2-benzoyliminoacetate?
The IUPAC name of [(Z)-3-phenylprop-2-enyl] 2-benzoyliminoacetate (CID 134877424) is [(Z)-3-phenylprop-2-enyl] 2-benzoyliminoacetate.
What is the SMILES notation for [(Z)-3-phenylprop-2-enyl] 2-benzoyliminoacetate?
The canonical SMILES for [(Z)-3-phenylprop-2-enyl] 2-benzoyliminoacetate is O=C(/C=N/C(=O)c1ccccc1)OC/C=C\c1ccccc1.
What is the InChIKey of [(Z)-3-phenylprop-2-enyl] 2-benzoyliminoacetate?
The InChIKey is AHHIPGAPBZGGAA-WDDNQKGISA-N. The full InChI is InChI=1S/C18H15NO3/c20-17(14-19-18(21)16-11-5-2-6-12-16)22-13-7-10-15-8-3-1-4-9-15/h1-12,14H,13H2/b10-7-,19-14+.
What are the key properties of [(Z)-3-phenylprop-2-enyl] 2-benzoyliminoacetate?
[(Z)-3-phenylprop-2-enyl] 2-benzoyliminoacetate has a molecular weight of 293.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-phenylprop-2-enyl] 2-benzoyliminoacetate is sourced from PubChem (CID 134877424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).