5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole

C12H15N — CID 89032198

IUPAC5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole
SMILESCC1=CCC(c2ccc(C)cc2)N1
InChIInChI=1S/C12H15N/c1-9-3-6-11(7-4-9)12-8-5-10(2)13-12/h3-7,12-13H,8H2,1-2H3
InChIKeyPDNBROAENPTXMU-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.93
Rot. Bonds1

About 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole

5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole (PubChem CID 89032198) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole
PubChem CID89032198
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole
SMILESCC1=CCC(c2ccc(C)cc2)N1
InChIInChI=1S/C12H15N/c1-9-3-6-11(7-4-9)12-8-5-10(2)13-12/h3-7,12-13H,8H2,1-2H3
InChIKeyPDNBROAENPTXMU-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole (CID 89032198) is 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole is CC1=CCC(c2ccc(C)cc2)N1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole?
The InChIKey is PDNBROAENPTXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9-3-6-11(7-4-9)12-8-5-10(2)13-12/h3-7,12-13H,8H2,1-2H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole?
5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole has a molecular weight of 173.26 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 89032198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).