prop-2-enyl N-benzoylbenzenecarboximidate

C17H15NO2 — CID 134884049

IUPACprop-2-enyl N-benzoylbenzenecarboximidate
SMILESC=CCO/C(=N\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-2-13-20-17(15-11-7-4-8-12-15)18-16(19)14-9-5-3-6-10-14/h2-12H,1,13H2/b18-17-
InChIKeyJLWBJPDCBRULJP-ZCXUNETKSA-N
MW265.31 g/mol
LogP3.48
Rot. Bonds4

About prop-2-enyl N-benzoylbenzenecarboximidate

prop-2-enyl N-benzoylbenzenecarboximidate (PubChem CID 134884049) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is prop-2-enyl N-benzoylbenzenecarboximidate.

Molecular Properties

Compound Nameprop-2-enyl N-benzoylbenzenecarboximidate
PubChem CID134884049
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Nameprop-2-enyl N-benzoylbenzenecarboximidate
SMILESC=CCO/C(=N\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-2-13-20-17(15-11-7-4-8-12-15)18-16(19)14-9-5-3-6-10-14/h2-12H,1,13H2/b18-17-
InChIKeyJLWBJPDCBRULJP-ZCXUNETKSA-N
XLogP3.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-benzoylbenzenecarboximidate?
The IUPAC name of prop-2-enyl N-benzoylbenzenecarboximidate (CID 134884049) is prop-2-enyl N-benzoylbenzenecarboximidate.
What is the SMILES notation for prop-2-enyl N-benzoylbenzenecarboximidate?
The canonical SMILES for prop-2-enyl N-benzoylbenzenecarboximidate is C=CCO/C(=N\C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of prop-2-enyl N-benzoylbenzenecarboximidate?
The InChIKey is JLWBJPDCBRULJP-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-13-20-17(15-11-7-4-8-12-15)18-16(19)14-9-5-3-6-10-14/h2-12H,1,13H2/b18-17-.
What are the key properties of prop-2-enyl N-benzoylbenzenecarboximidate?
prop-2-enyl N-benzoylbenzenecarboximidate has a molecular weight of 265.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-benzoylbenzenecarboximidate is sourced from PubChem (CID 134884049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).