2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole

C12H15N — CID 102142891

IUPAC2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole
SMILESCc1ccc(C2=NC(C)CC2)cc1
InChIInChI=1S/C12H15N/c1-9-3-6-11(7-4-9)12-8-5-10(2)13-12/h3-4,6-7,10H,5,8H2,1-2H3
InChIKeyLUFCUMSGEKLMEA-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.97
Rot. Bonds1

About 2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole

2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 102142891) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole
PubChem CID102142891
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole
SMILESCc1ccc(C2=NC(C)CC2)cc1
InChIInChI=1S/C12H15N/c1-9-3-6-11(7-4-9)12-8-5-10(2)13-12/h3-4,6-7,10H,5,8H2,1-2H3
InChIKeyLUFCUMSGEKLMEA-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole (CID 102142891) is 2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole is Cc1ccc(C2=NC(C)CC2)cc1.
What is the InChIKey of 2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is LUFCUMSGEKLMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9-3-6-11(7-4-9)12-8-5-10(2)13-12/h3-4,6-7,10H,5,8H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole?
2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 173.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 102142891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).