5-[(E)-2-(4-methylphenyl)ethenyl]-3H-pyrrole

C13H13N — CID 54173942

IUPAC5-[(E)-2-(4-methylphenyl)ethenyl]-3H-pyrrole
SMILESCc1ccc(/C=C/C2=CCC=N2)cc1
InChIInChI=1S/C13H13N/c1-11-4-6-12(7-5-11)8-9-13-3-2-10-14-13/h3-10H,2H2,1H3/b9-8+
InChIKeyOWYICNFVEYTJRT-CMDGGOBGSA-N
MW183.25 g/mol
LogP3.37
Rot. Bonds2

About 5-[(E)-2-(4-methylphenyl)ethenyl]-3H-pyrrole

5-[(E)-2-(4-methylphenyl)ethenyl]-3H-pyrrole (PubChem CID 54173942) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-[(E)-2-(4-methylphenyl)ethenyl]-3H-pyrrole.

Molecular Properties

Compound Name5-[(E)-2-(4-methylphenyl)ethenyl]-3H-pyrrole
PubChem CID54173942
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name5-[(E)-2-(4-methylphenyl)ethenyl]-3H-pyrrole
SMILESCc1ccc(/C=C/C2=CCC=N2)cc1
InChIInChI=1S/C13H13N/c1-11-4-6-12(7-5-11)8-9-13-3-2-10-14-13/h3-10H,2H2,1H3/b9-8+
InChIKeyOWYICNFVEYTJRT-CMDGGOBGSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-methylphenyl)ethenyl]-3H-pyrrole?
The IUPAC name of 5-[(E)-2-(4-methylphenyl)ethenyl]-3H-pyrrole (CID 54173942) is 5-[(E)-2-(4-methylphenyl)ethenyl]-3H-pyrrole.
What is the SMILES notation for 5-[(E)-2-(4-methylphenyl)ethenyl]-3H-pyrrole?
The canonical SMILES for 5-[(E)-2-(4-methylphenyl)ethenyl]-3H-pyrrole is Cc1ccc(/C=C/C2=CCC=N2)cc1.
What is the InChIKey of 5-[(E)-2-(4-methylphenyl)ethenyl]-3H-pyrrole?
The InChIKey is OWYICNFVEYTJRT-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H13N/c1-11-4-6-12(7-5-11)8-9-13-3-2-10-14-13/h3-10H,2H2,1H3/b9-8+.
What are the key properties of 5-[(E)-2-(4-methylphenyl)ethenyl]-3H-pyrrole?
5-[(E)-2-(4-methylphenyl)ethenyl]-3H-pyrrole has a molecular weight of 183.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-methylphenyl)ethenyl]-3H-pyrrole is sourced from PubChem (CID 54173942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).