2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine

C21H19N — CID 11380609

IUPAC2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine
SMILESCc1ccccc1/C(=C/c1ccccn1)Cc1ccccc1
InChIInChI=1S/C21H19N/c1-17-9-5-6-13-21(17)19(15-18-10-3-2-4-11-18)16-20-12-7-8-14-22-20/h2-14,16H,15H2,1H3/b19-16+
InChIKeyODXFUORIWCIWOT-KNTRCKAVSA-N
MW285.39 g/mol
LogP5.17
Rot. Bonds4

About 2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine

2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine (PubChem CID 11380609) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine.

Molecular Properties

Compound Name2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine
PubChem CID11380609
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine
SMILESCc1ccccc1/C(=C/c1ccccn1)Cc1ccccc1
InChIInChI=1S/C21H19N/c1-17-9-5-6-13-21(17)19(15-18-10-3-2-4-11-18)16-20-12-7-8-14-22-20/h2-14,16H,15H2,1H3/b19-16+
InChIKeyODXFUORIWCIWOT-KNTRCKAVSA-N
XLogP5.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine?
The IUPAC name of 2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine (CID 11380609) is 2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine.
What is the SMILES notation for 2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine?
The canonical SMILES for 2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine is Cc1ccccc1/C(=C/c1ccccn1)Cc1ccccc1.
What is the InChIKey of 2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine?
The InChIKey is ODXFUORIWCIWOT-KNTRCKAVSA-N. The full InChI is InChI=1S/C21H19N/c1-17-9-5-6-13-21(17)19(15-18-10-3-2-4-11-18)16-20-12-7-8-14-22-20/h2-14,16H,15H2,1H3/b19-16+.
What are the key properties of 2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine?
2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine has a molecular weight of 285.39 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine is sourced from PubChem (CID 11380609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).