1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole

C18H23N — CID 82088269

IUPAC1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole
SMILESCCc1ccc(-c2ccc(C)n2C2CCCC2)cc1
InChIInChI=1S/C18H23N/c1-3-15-9-11-16(12-10-15)18-13-8-14(2)19(18)17-6-4-5-7-17/h8-13,17H,3-7H2,1-2H3
InChIKeyHTNBEOJPZUJXCN-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.14
Rot. Bonds3

About 1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole

1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole (PubChem CID 82088269) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole.

Molecular Properties

Compound Name1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole
PubChem CID82088269
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole
SMILESCCc1ccc(-c2ccc(C)n2C2CCCC2)cc1
InChIInChI=1S/C18H23N/c1-3-15-9-11-16(12-10-15)18-13-8-14(2)19(18)17-6-4-5-7-17/h8-13,17H,3-7H2,1-2H3
InChIKeyHTNBEOJPZUJXCN-UHFFFAOYSA-N
XLogP5.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole
CID 82085166
4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline
CID 82092631
2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82520507
1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid
CID 82092874
1-(4-ethylphenyl)-2-methyl-5-phenylpyrrole
CID 4763677
3-(bromomethyl)-4-cyclopropyl-5-(4-ethylphenyl)-1,2,4-triazole
CID 113302396
N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide
CID 3459366
1-(3-ethylcyclohexyl)-2,5-dimethylpyrrole
CID 64743596
3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one
CID 82189598
ethyl 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(4-ethylphenyl)pyrazole-3-carboxylate
CID 46097620
2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 61363149
1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde
CID 82521060

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole?
The IUPAC name of 1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole (CID 82088269) is 1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole.
What is the SMILES notation for 1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole?
The canonical SMILES for 1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole is CCc1ccc(-c2ccc(C)n2C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole?
The InChIKey is HTNBEOJPZUJXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-3-15-9-11-16(12-10-15)18-13-8-14(2)19(18)17-6-4-5-7-17/h8-13,17H,3-7H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole?
1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole has a molecular weight of 253.39 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole is sourced from PubChem (CID 82088269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).