2,3,5-trimethyl-1-(4-methylphenyl)pyrrole

C14H17N — CID 139373855

IUPAC2,3,5-trimethyl-1-(4-methylphenyl)pyrrole
SMILESCc1ccc(-n2c(C)cc(C)c2C)cc1
InChIInChI=1S/C14H17N/c1-10-5-7-14(8-6-10)15-12(3)9-11(2)13(15)4/h5-9H,1-4H3
InChIKeyIQBIOFUNHVTNOY-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.71
Rot. Bonds1

About 2,3,5-trimethyl-1-(4-methylphenyl)pyrrole

2,3,5-trimethyl-1-(4-methylphenyl)pyrrole (PubChem CID 139373855) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2,3,5-trimethyl-1-(4-methylphenyl)pyrrole.

Molecular Properties

Compound Name2,3,5-trimethyl-1-(4-methylphenyl)pyrrole
PubChem CID139373855
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2,3,5-trimethyl-1-(4-methylphenyl)pyrrole
SMILESCc1ccc(-n2c(C)cc(C)c2C)cc1
InChIInChI=1S/C14H17N/c1-10-5-7-14(8-6-10)15-12(3)9-11(2)13(15)4/h5-9H,1-4H3
InChIKeyIQBIOFUNHVTNOY-UHFFFAOYSA-N
XLogP3.71
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.71
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 2,3,5-trimethyl-1-(4-methylphenyl)pyrrole?
The IUPAC name of 2,3,5-trimethyl-1-(4-methylphenyl)pyrrole (CID 139373855) is 2,3,5-trimethyl-1-(4-methylphenyl)pyrrole.
What is the SMILES notation for 2,3,5-trimethyl-1-(4-methylphenyl)pyrrole?
The canonical SMILES for 2,3,5-trimethyl-1-(4-methylphenyl)pyrrole is Cc1ccc(-n2c(C)cc(C)c2C)cc1.
What is the InChIKey of 2,3,5-trimethyl-1-(4-methylphenyl)pyrrole?
The InChIKey is IQBIOFUNHVTNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-10-5-7-14(8-6-10)15-12(3)9-11(2)13(15)4/h5-9H,1-4H3.
What are the key properties of 2,3,5-trimethyl-1-(4-methylphenyl)pyrrole?
2,3,5-trimethyl-1-(4-methylphenyl)pyrrole has a molecular weight of 199.30 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-1-(4-methylphenyl)pyrrole is sourced from PubChem (CID 139373855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).