3-methyl-4-phenyl-1H-pyrrole

C11H11N — CID 15164561

IUPAC3-methyl-4-phenyl-1H-pyrrole
SMILESCc1c[nH]cc1-c1ccccc1
InChIInChI=1S/C11H11N/c1-9-7-12-8-11(9)10-5-3-2-4-6-10/h2-8,12H,1H3
InChIKeyWGLKMXOTGOECNA-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.99
Rot. Bonds1

About 3-methyl-4-phenyl-1H-pyrrole

3-methyl-4-phenyl-1H-pyrrole (PubChem CID 15164561) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-methyl-4-phenyl-1H-pyrrole.

Molecular Properties

Compound Name3-methyl-4-phenyl-1H-pyrrole
PubChem CID15164561
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name3-methyl-4-phenyl-1H-pyrrole
SMILESCc1c[nH]cc1-c1ccccc1
InChIInChI=1S/C11H11N/c1-9-7-12-8-11(9)10-5-3-2-4-6-10/h2-8,12H,1H3
InChIKeyWGLKMXOTGOECNA-UHFFFAOYSA-N
XLogP2.99
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-1H-pyrrole?
The IUPAC name of 3-methyl-4-phenyl-1H-pyrrole (CID 15164561) is 3-methyl-4-phenyl-1H-pyrrole.
What is the SMILES notation for 3-methyl-4-phenyl-1H-pyrrole?
The canonical SMILES for 3-methyl-4-phenyl-1H-pyrrole is Cc1c[nH]cc1-c1ccccc1.
What is the InChIKey of 3-methyl-4-phenyl-1H-pyrrole?
The InChIKey is WGLKMXOTGOECNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-9-7-12-8-11(9)10-5-3-2-4-6-10/h2-8,12H,1H3.
What are the key properties of 3-methyl-4-phenyl-1H-pyrrole?
3-methyl-4-phenyl-1H-pyrrole has a molecular weight of 157.22 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-1H-pyrrole is sourced from PubChem (CID 15164561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).