2-(3-methyl-5-propylphenyl)-1H-pyrrole

C14H17N — CID 146359377

IUPAC2-(3-methyl-5-propylphenyl)-1H-pyrrole
SMILESCCCc1cc(C)cc(-c2ccc[nH]2)c1
InChIInChI=1S/C14H17N/c1-3-5-12-8-11(2)9-13(10-12)14-6-4-7-15-14/h4,6-10,15H,3,5H2,1-2H3
InChIKeyCTAJILPATAINRE-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.94
Rot. Bonds3

About 2-(3-methyl-5-propylphenyl)-1H-pyrrole

2-(3-methyl-5-propylphenyl)-1H-pyrrole (PubChem CID 146359377) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(3-methyl-5-propylphenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(3-methyl-5-propylphenyl)-1H-pyrrole
PubChem CID146359377
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-(3-methyl-5-propylphenyl)-1H-pyrrole
SMILESCCCc1cc(C)cc(-c2ccc[nH]2)c1
InChIInChI=1S/C14H17N/c1-3-5-12-8-11(2)9-13(10-12)14-6-4-7-15-14/h4,6-10,15H,3,5H2,1-2H3
InChIKeyCTAJILPATAINRE-UHFFFAOYSA-N
XLogP3.94
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-propylphenyl)-1H-pyrrole?
The IUPAC name of 2-(3-methyl-5-propylphenyl)-1H-pyrrole (CID 146359377) is 2-(3-methyl-5-propylphenyl)-1H-pyrrole.
What is the SMILES notation for 2-(3-methyl-5-propylphenyl)-1H-pyrrole?
The canonical SMILES for 2-(3-methyl-5-propylphenyl)-1H-pyrrole is CCCc1cc(C)cc(-c2ccc[nH]2)c1.
What is the InChIKey of 2-(3-methyl-5-propylphenyl)-1H-pyrrole?
The InChIKey is CTAJILPATAINRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-5-12-8-11(2)9-13(10-12)14-6-4-7-15-14/h4,6-10,15H,3,5H2,1-2H3.
What are the key properties of 2-(3-methyl-5-propylphenyl)-1H-pyrrole?
2-(3-methyl-5-propylphenyl)-1H-pyrrole has a molecular weight of 199.30 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-propylphenyl)-1H-pyrrole is sourced from PubChem (CID 146359377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).