1,3-dimethyl-4-(4-methylphenyl)pyrrole

C13H15N — CID 20658486

IUPAC1,3-dimethyl-4-(4-methylphenyl)pyrrole
SMILESCc1ccc(-c2cn(C)cc2C)cc1
InChIInChI=1S/C13H15N/c1-10-4-6-12(7-5-10)13-9-14(3)8-11(13)2/h4-9H,1-3H3
InChIKeySFFBDWLRVZNNLA-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.31
Rot. Bonds1

About 1,3-dimethyl-4-(4-methylphenyl)pyrrole

1,3-dimethyl-4-(4-methylphenyl)pyrrole (PubChem CID 20658486) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,3-dimethyl-4-(4-methylphenyl)pyrrole.

Molecular Properties

Compound Name1,3-dimethyl-4-(4-methylphenyl)pyrrole
PubChem CID20658486
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name1,3-dimethyl-4-(4-methylphenyl)pyrrole
SMILESCc1ccc(-c2cn(C)cc2C)cc1
InChIInChI=1S/C13H15N/c1-10-4-6-12(7-5-10)13-9-14(3)8-11(13)2/h4-9H,1-3H3
InChIKeySFFBDWLRVZNNLA-UHFFFAOYSA-N
XLogP3.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(4-methylphenyl)pyrrole-3-carbonitrile
CID 19759483
1,6-dimethylazulene
CID 10855725
3-methyl-4-(4-methylphenyl)furan
CID 20658517
3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 58157464
1-methyl-3-(4-methylphenyl)indole
CID 58931542
1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
CID 144785199
1-ethynyl-4-methyl-2-(4-methylphenyl)benzene
CID 169408159
3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 70791517
cobalt;bis(1,4-xylene)
CID 67859603
platinum;1,4-xylene
CID 173034643
methane;pentakis(1,4-xylene)
CID 160760083
3-(3,4-dichlorophenyl)-5-(3,4-dimethylphenyl)-1-methylpyridin-4-one
CID 12879296

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(4-methylphenyl)pyrrole?
The IUPAC name of 1,3-dimethyl-4-(4-methylphenyl)pyrrole (CID 20658486) is 1,3-dimethyl-4-(4-methylphenyl)pyrrole.
What is the SMILES notation for 1,3-dimethyl-4-(4-methylphenyl)pyrrole?
The canonical SMILES for 1,3-dimethyl-4-(4-methylphenyl)pyrrole is Cc1ccc(-c2cn(C)cc2C)cc1.
What is the InChIKey of 1,3-dimethyl-4-(4-methylphenyl)pyrrole?
The InChIKey is SFFBDWLRVZNNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-4-6-12(7-5-10)13-9-14(3)8-11(13)2/h4-9H,1-3H3.
What are the key properties of 1,3-dimethyl-4-(4-methylphenyl)pyrrole?
1,3-dimethyl-4-(4-methylphenyl)pyrrole has a molecular weight of 185.27 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(4-methylphenyl)pyrrole is sourced from PubChem (CID 20658486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).