2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole

C14H16ClN — CID 82082972

IUPAC2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole
SMILESCc1ccc(-c2ccc(Cl)cc2)n1C(C)C
InChIInChI=1S/C14H16ClN/c1-10(2)16-11(3)4-9-14(16)12-5-7-13(15)8-6-12/h4-10H,1-3H3
InChIKeyODQGFYYHTKRAAJ-UHFFFAOYSA-N
MW233.74 g/mol
LogP4.70
Rot. Bonds2

About 2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole

2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole (PubChem CID 82082972) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole
PubChem CID82082972
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole
SMILESCc1ccc(-c2ccc(Cl)cc2)n1C(C)C
InChIInChI=1S/C14H16ClN/c1-10(2)16-11(3)4-9-14(16)12-5-7-13(15)8-6-12/h4-10H,1-3H3
InChIKeyODQGFYYHTKRAAJ-UHFFFAOYSA-N
XLogP4.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 54.70
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-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole
CID 55029213
2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole
CID 117260158
2-methyl-1,5-di(propan-2-yl)pyrrole
CID 91672099
2-(4-chlorophenyl)-3-(3-fluoro-5-methylphenyl)-5-methyl-1-propan-2-ylpyrrole
CID 153358865
2-(4-methylphenyl)-5-nitro-1-propan-2-ylpyrrole
CID 142784830
3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189293
2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole
CID 175931315
2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
CID 82520421
1-chloro-4-methylbenzene;zinc
CID 174694335
methyl 5-(4-chlorophenyl)-1-methylpyrrole-2-carboxylate
CID 117223101
2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole
CID 82084768
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline
CID 104698506

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole?
The IUPAC name of 2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole (CID 82082972) is 2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole?
The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole is Cc1ccc(-c2ccc(Cl)cc2)n1C(C)C.
What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole?
The InChIKey is ODQGFYYHTKRAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c1-10(2)16-11(3)4-9-14(16)12-5-7-13(15)8-6-12/h4-10H,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole?
2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole has a molecular weight of 233.74 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole is sourced from PubChem (CID 82082972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).