2-methyl-4-(2-phenylethyl)-3H-pyrrole

C13H15N — CID 58034215

IUPAC2-methyl-4-(2-phenylethyl)-3H-pyrrole
SMILESCC1=NC=C(CCc2ccccc2)C1
InChIInChI=1S/C13H15N/c1-11-9-13(10-14-11)8-7-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3
InChIKeyWEGBKXIBGHZEKP-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.37
Rot. Bonds3

About 2-methyl-4-(2-phenylethyl)-3H-pyrrole

2-methyl-4-(2-phenylethyl)-3H-pyrrole (PubChem CID 58034215) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-4-(2-phenylethyl)-3H-pyrrole.

Molecular Properties

Compound Name2-methyl-4-(2-phenylethyl)-3H-pyrrole
PubChem CID58034215
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-methyl-4-(2-phenylethyl)-3H-pyrrole
SMILESCC1=NC=C(CCc2ccccc2)C1
InChIInChI=1S/C13H15N/c1-11-9-13(10-14-11)8-7-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3
InChIKeyWEGBKXIBGHZEKP-UHFFFAOYSA-N
XLogP3.37
TPSA12.36 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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-cyclohexa-1,3-dien-1-ylethylbenzene;ethane;hydroiodide
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1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene
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CID 57211956
3-[4-(2-phenylethyl)phenyl]propanoic acid
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1-(2-methylpropyl)-4-(2-phenylethyl)benzene
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1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenylethyl)-3H-pyrrole?
The IUPAC name of 2-methyl-4-(2-phenylethyl)-3H-pyrrole (CID 58034215) is 2-methyl-4-(2-phenylethyl)-3H-pyrrole.
What is the SMILES notation for 2-methyl-4-(2-phenylethyl)-3H-pyrrole?
The canonical SMILES for 2-methyl-4-(2-phenylethyl)-3H-pyrrole is CC1=NC=C(CCc2ccccc2)C1.
What is the InChIKey of 2-methyl-4-(2-phenylethyl)-3H-pyrrole?
The InChIKey is WEGBKXIBGHZEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-11-9-13(10-14-11)8-7-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3.
What are the key properties of 2-methyl-4-(2-phenylethyl)-3H-pyrrole?
2-methyl-4-(2-phenylethyl)-3H-pyrrole has a molecular weight of 185.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-phenylethyl)-3H-pyrrole is sourced from PubChem (CID 58034215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).