2,5-dimethyl-1-(3-methylphenyl)pyrrole

C13H15N — CID 1281189

IUPAC2,5-dimethyl-1-(3-methylphenyl)pyrrole
SMILESCc1cccc(-n2c(C)ccc2C)c1
InChIInChI=1S/C13H15N/c1-10-5-4-6-13(9-10)14-11(2)7-8-12(14)3/h4-9H,1-3H3
InChIKeyCLWZTXHNHAJBQD-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.40
Rot. Bonds1

About 2,5-dimethyl-1-(3-methylphenyl)pyrrole

2,5-dimethyl-1-(3-methylphenyl)pyrrole (PubChem CID 1281189) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,5-dimethyl-1-(3-methylphenyl)pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-(3-methylphenyl)pyrrole
PubChem CID1281189
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2,5-dimethyl-1-(3-methylphenyl)pyrrole
SMILESCc1cccc(-n2c(C)ccc2C)c1
InChIInChI=1S/C13H15N/c1-10-5-4-6-13(9-10)14-11(2)7-8-12(14)3/h4-9H,1-3H3
InChIKeyCLWZTXHNHAJBQD-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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

2,4,6-Trimethylpyridine
CID 7953
Sib 1893
CID 5311432
Mpep
CID 3025961
2,3,6-Trimethylpyridine
CID 15100
2,5-Dimethyl-1-phenylpyrrole
CID 66518
3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline
CID 648465
1,2-Dimethylindole
CID 13408
2-Methyl-6-(4-phenylbut-1-ynyl)pyridine
CID 11424570
benzyl(methyl)[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 11806071
2-Methyl-6-(5-phenylpent-1-ynyl)pyridine
CID 44416004
2-Methyl-6-(phenylethynyl)pyridine hydrochloride
CID 9794588
4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline
CID 762122

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(3-methylphenyl)pyrrole?
The IUPAC name of 2,5-dimethyl-1-(3-methylphenyl)pyrrole (CID 1281189) is 2,5-dimethyl-1-(3-methylphenyl)pyrrole.
What is the SMILES notation for 2,5-dimethyl-1-(3-methylphenyl)pyrrole?
The canonical SMILES for 2,5-dimethyl-1-(3-methylphenyl)pyrrole is Cc1cccc(-n2c(C)ccc2C)c1.
What is the InChIKey of 2,5-dimethyl-1-(3-methylphenyl)pyrrole?
The InChIKey is CLWZTXHNHAJBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-5-4-6-13(9-10)14-11(2)7-8-12(14)3/h4-9H,1-3H3.
What are the key properties of 2,5-dimethyl-1-(3-methylphenyl)pyrrole?
2,5-dimethyl-1-(3-methylphenyl)pyrrole has a molecular weight of 185.27 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(3-methylphenyl)pyrrole is sourced from PubChem (CID 1281189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).