(E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine

C15H12ClN — CID 6247301

IUPAC(E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine
SMILESClc1cccc(/N=C/C=C/c2ccccc2)c1
InChIInChI=1S/C15H12ClN/c16-14-9-4-10-15(12-14)17-11-5-8-13-6-2-1-3-7-13/h1-12H/b8-5+,17-11+
InChIKeyKAWRHCVFQIILQA-NSYQEJESSA-N
MW241.72 g/mol
LogP4.76
Rot. Bonds3

About (E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine

(E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine (PubChem CID 6247301) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is (E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine
PubChem CID6247301
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name(E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine
SMILESClc1cccc(/N=C/C=C/c2ccccc2)c1
InChIInChI=1S/C15H12ClN/c16-14-9-4-10-15(12-14)17-11-5-8-13-6-2-1-3-7-13/h1-12H/b8-5+,17-11+
InChIKeyKAWRHCVFQIILQA-NSYQEJESSA-N
XLogP4.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine?
The IUPAC name of (E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine (CID 6247301) is (E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine?
The canonical SMILES for (E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine is Clc1cccc(/N=C/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine?
The InChIKey is KAWRHCVFQIILQA-NSYQEJESSA-N. The full InChI is InChI=1S/C15H12ClN/c16-14-9-4-10-15(12-14)17-11-5-8-13-6-2-1-3-7-13/h1-12H/b8-5+,17-11+.
What are the key properties of (E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine?
(E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine has a molecular weight of 241.72 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 6247301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).