1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole

C19H19N — CID 4763677

IUPAC1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole
SMILESCCc1ccc(-n2c(C)ccc2-c2ccccc2)cc1
InChIInChI=1S/C19H19N/c1-3-16-10-12-18(13-11-16)20-15(2)9-14-19(20)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3
InChIKeyWJCOZJDMXNEIKD-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.02
Rot. Bonds3

About 1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole

1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole (PubChem CID 4763677) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole
PubChem CID4763677
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole
SMILESCCc1ccc(-n2c(C)ccc2-c2ccccc2)cc1
InChIInChI=1S/C19H19N/c1-3-16-10-12-18(13-11-16)20-15(2)9-14-19(20)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3
InChIKeyWJCOZJDMXNEIKD-UHFFFAOYSA-N
XLogP5.02
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole?
The IUPAC name of 1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole (CID 4763677) is 1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole.
What is the SMILES notation for 1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole?
The canonical SMILES for 1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole is CCc1ccc(-n2c(C)ccc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole?
The InChIKey is WJCOZJDMXNEIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-3-16-10-12-18(13-11-16)20-15(2)9-14-19(20)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole?
1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole has a molecular weight of 261.37 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole is sourced from PubChem (CID 4763677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).