2-methyl-1-(2-phenylethyl)pyrrole

C13H15N — CID 57188068

IUPAC2-methyl-1-(2-phenylethyl)pyrrole
SMILESCc1cccn1CCc1ccccc1
InChIInChI=1S/C13H15N/c1-12-6-5-10-14(12)11-9-13-7-3-2-4-8-13/h2-8,10H,9,11H2,1H3
InChIKeyNPUJEHFNOCNQKT-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.04
Rot. Bonds3

About 2-methyl-1-(2-phenylethyl)pyrrole

2-methyl-1-(2-phenylethyl)pyrrole (PubChem CID 57188068) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylethyl)pyrrole.

Molecular Properties

Compound Name2-methyl-1-(2-phenylethyl)pyrrole
PubChem CID57188068
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-methyl-1-(2-phenylethyl)pyrrole
SMILESCc1cccn1CCc1ccccc1
InChIInChI=1S/C13H15N/c1-12-6-5-10-14(12)11-9-13-7-3-2-4-8-13/h2-8,10H,9,11H2,1H3
InChIKeyNPUJEHFNOCNQKT-UHFFFAOYSA-N
XLogP3.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylethyl)pyrrole?
The IUPAC name of 2-methyl-1-(2-phenylethyl)pyrrole (CID 57188068) is 2-methyl-1-(2-phenylethyl)pyrrole.
What is the SMILES notation for 2-methyl-1-(2-phenylethyl)pyrrole?
The canonical SMILES for 2-methyl-1-(2-phenylethyl)pyrrole is Cc1cccn1CCc1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenylethyl)pyrrole?
The InChIKey is NPUJEHFNOCNQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-12-6-5-10-14(12)11-9-13-7-3-2-4-8-13/h2-8,10H,9,11H2,1H3.
What are the key properties of 2-methyl-1-(2-phenylethyl)pyrrole?
2-methyl-1-(2-phenylethyl)pyrrole has a molecular weight of 185.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylethyl)pyrrole is sourced from PubChem (CID 57188068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).