5-methyl-4-phenyl-3H-pyrrole

C11H11N — CID 22952230

IUPAC5-methyl-4-phenyl-3H-pyrrole
SMILESCC1=C(c2ccccc2)CC=N1
InChIInChI=1S/C11H11N/c1-9-11(7-8-12-9)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyHDLLSTLDQSHOGH-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.89
Rot. Bonds1

About 5-methyl-4-phenyl-3H-pyrrole

5-methyl-4-phenyl-3H-pyrrole (PubChem CID 22952230) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 5-methyl-4-phenyl-3H-pyrrole.

Molecular Properties

Compound Name5-methyl-4-phenyl-3H-pyrrole
PubChem CID22952230
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name5-methyl-4-phenyl-3H-pyrrole
SMILESCC1=C(c2ccccc2)CC=N1
InChIInChI=1S/C11H11N/c1-9-11(7-8-12-9)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyHDLLSTLDQSHOGH-UHFFFAOYSA-N
XLogP2.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-3H-pyrrole?
The IUPAC name of 5-methyl-4-phenyl-3H-pyrrole (CID 22952230) is 5-methyl-4-phenyl-3H-pyrrole.
What is the SMILES notation for 5-methyl-4-phenyl-3H-pyrrole?
The canonical SMILES for 5-methyl-4-phenyl-3H-pyrrole is CC1=C(c2ccccc2)CC=N1.
What is the InChIKey of 5-methyl-4-phenyl-3H-pyrrole?
The InChIKey is HDLLSTLDQSHOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-9-11(7-8-12-9)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 5-methyl-4-phenyl-3H-pyrrole?
5-methyl-4-phenyl-3H-pyrrole has a molecular weight of 157.22 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-3H-pyrrole is sourced from PubChem (CID 22952230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).