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

C15H19N — CID 54245638

IUPAC2,5-dimethyl-1-(2,3,5-trimethylphenyl)pyrrole
SMILESCc1cc(C)c(C)c(-n2c(C)ccc2C)c1
InChIInChI=1S/C15H19N/c1-10-8-11(2)14(5)15(9-10)16-12(3)6-7-13(16)4/h6-9H,1-5H3
InChIKeyQTCAATVFZYKVCR-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.02
Rot. Bonds1

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

2,5-dimethyl-1-(2,3,5-trimethylphenyl)pyrrole (PubChem CID 54245638) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2,3,5-trimethylphenyl)pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-(2,3,5-trimethylphenyl)pyrrole
PubChem CID54245638
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2,5-dimethyl-1-(2,3,5-trimethylphenyl)pyrrole
SMILESCc1cc(C)c(C)c(-n2c(C)ccc2C)c1
InChIInChI=1S/C15H19N/c1-10-8-11(2)14(5)15(9-10)16-12(3)6-7-13(16)4/h6-9H,1-5H3
InChIKeyQTCAATVFZYKVCR-UHFFFAOYSA-N
XLogP4.02
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.02
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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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2,3,5-trimethylphenyl)pyrrole?
The IUPAC name of 2,5-dimethyl-1-(2,3,5-trimethylphenyl)pyrrole (CID 54245638) is 2,5-dimethyl-1-(2,3,5-trimethylphenyl)pyrrole.
What is the SMILES notation for 2,5-dimethyl-1-(2,3,5-trimethylphenyl)pyrrole?
The canonical SMILES for 2,5-dimethyl-1-(2,3,5-trimethylphenyl)pyrrole is Cc1cc(C)c(C)c(-n2c(C)ccc2C)c1.
What is the InChIKey of 2,5-dimethyl-1-(2,3,5-trimethylphenyl)pyrrole?
The InChIKey is QTCAATVFZYKVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-10-8-11(2)14(5)15(9-10)16-12(3)6-7-13(16)4/h6-9H,1-5H3.
What are the key properties of 2,5-dimethyl-1-(2,3,5-trimethylphenyl)pyrrole?
2,5-dimethyl-1-(2,3,5-trimethylphenyl)pyrrole has a molecular weight of 213.32 g/mol, XLogP of 4.02, 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-(2,3,5-trimethylphenyl)pyrrole is sourced from PubChem (CID 54245638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).