2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole

C21H21N — CID 102396448

IUPAC2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole
SMILESCc1ccc(/C=C/C(c2ccc(C)cc2)c2ccc[nH]2)cc1
InChIInChI=1S/C21H21N/c1-16-5-9-18(10-6-16)11-14-20(21-4-3-15-22-21)19-12-7-17(2)8-13-19/h3-15,20,22H,1-2H3/b14-11+
InChIKeyLJFZQRBPXGJAEJ-SDNWHVSQSA-N
MW287.41 g/mol
LogP5.48
Rot. Bonds4

About 2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole

2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole (PubChem CID 102396448) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole
PubChem CID102396448
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole
SMILESCc1ccc(/C=C/C(c2ccc(C)cc2)c2ccc[nH]2)cc1
InChIInChI=1S/C21H21N/c1-16-5-9-18(10-6-16)11-14-20(21-4-3-15-22-21)19-12-7-17(2)8-13-19/h3-15,20,22H,1-2H3/b14-11+
InChIKeyLJFZQRBPXGJAEJ-SDNWHVSQSA-N
XLogP5.48
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole?
The IUPAC name of 2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole (CID 102396448) is 2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole.
What is the SMILES notation for 2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole?
The canonical SMILES for 2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole is Cc1ccc(/C=C/C(c2ccc(C)cc2)c2ccc[nH]2)cc1.
What is the InChIKey of 2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole?
The InChIKey is LJFZQRBPXGJAEJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C21H21N/c1-16-5-9-18(10-6-16)11-14-20(21-4-3-15-22-21)19-12-7-17(2)8-13-19/h3-15,20,22H,1-2H3/b14-11+.
What are the key properties of 2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole?
2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole has a molecular weight of 287.41 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]-1H-pyrrole is sourced from PubChem (CID 102396448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).