1-(4-ethylphenyl)-2,5-dimethylpyrrole

C14H17N — CID 1207568

IUPAC1-(4-ethylphenyl)-2,5-dimethylpyrrole
SMILESCCc1ccc(-n2c(C)ccc2C)cc1
InChIInChI=1S/C14H17N/c1-4-13-7-9-14(10-8-13)15-11(2)5-6-12(15)3/h5-10H,4H2,1-3H3
InChIKeyBPLGTDRZXWBASB-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.66
Rot. Bonds2

About 1-(4-ethylphenyl)-2,5-dimethylpyrrole

1-(4-ethylphenyl)-2,5-dimethylpyrrole (PubChem CID 1207568) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2,5-dimethylpyrrole
PubChem CID1207568
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-(4-ethylphenyl)-2,5-dimethylpyrrole
SMILESCCc1ccc(-n2c(C)ccc2C)cc1
InChIInChI=1S/C14H17N/c1-4-13-7-9-14(10-8-13)15-11(2)5-6-12(15)3/h5-10H,4H2,1-3H3
InChIKeyBPLGTDRZXWBASB-UHFFFAOYSA-N
XLogP3.66
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

CID 7953
CID 7953
CID 3025961
CID 3025961
CID 5311432
CID 5311432
CID 15100
CID 15100
CID 6433387
CID 6433387
CID 66518
CID 66518
CID 98898
CID 98898
CID 762122
CID 762122
CID 3110002
CID 3110002
CID 13408
CID 13408
CID 11424570
CID 11424570
CID 11806071
CID 11806071

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(4-ethylphenyl)-2,5-dimethylpyrrole (CID 1207568) is 1-(4-ethylphenyl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(4-ethylphenyl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(4-ethylphenyl)-2,5-dimethylpyrrole is CCc1ccc(-n2c(C)ccc2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2,5-dimethylpyrrole?
The InChIKey is BPLGTDRZXWBASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-4-13-7-9-14(10-8-13)15-11(2)5-6-12(15)3/h5-10H,4H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2,5-dimethylpyrrole?
1-(4-ethylphenyl)-2,5-dimethylpyrrole has a molecular weight of 199.30 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2,5-dimethylpyrrole is sourced from PubChem (CID 1207568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).