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

C13H15NO — CID 608518

IUPAC1-(4-methoxyphenyl)-2,5-dimethylpyrrole
SMILESCOc1ccc(-n2c(C)ccc2C)cc1
InChIInChI=1S/C13H15NO/c1-10-4-5-11(2)14(10)12-6-8-13(15-3)9-7-12/h4-9H,1-3H3
InChIKeyZJXMRHDTQFPICU-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.10
Rot. Bonds2

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

1-(4-methoxyphenyl)-2,5-dimethylpyrrole (PubChem CID 608518) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2,5-dimethylpyrrole
PubChem CID608518
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(4-methoxyphenyl)-2,5-dimethylpyrrole
SMILESCOc1ccc(-n2c(C)ccc2C)cc1
InChIInChI=1S/C13H15NO/c1-10-4-5-11(2)14(10)12-6-8-13(15-3)9-7-12/h4-9H,1-3H3
InChIKeyZJXMRHDTQFPICU-UHFFFAOYSA-N
XLogP3.10
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 76274
CID 76274
CID 272427
CID 272427
CID 776878
CID 776878
CID 883333
CID 883333
CID 5324773
CID 5324773
CID 835144
CID 835144
CID 6900623
CID 6900623
CID 728667
CID 728667
CID 776843
CID 776843
CID 776871
CID 776871
CID 781187
CID 781187
CID 354068
CID 354068

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(4-methoxyphenyl)-2,5-dimethylpyrrole (CID 608518) is 1-(4-methoxyphenyl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(4-methoxyphenyl)-2,5-dimethylpyrrole is COc1ccc(-n2c(C)ccc2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2,5-dimethylpyrrole?
The InChIKey is ZJXMRHDTQFPICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-4-5-11(2)14(10)12-6-8-13(15-3)9-7-12/h4-9H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2,5-dimethylpyrrole?
1-(4-methoxyphenyl)-2,5-dimethylpyrrole has a molecular weight of 201.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2,5-dimethylpyrrole is sourced from PubChem (CID 608518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).