2-(4-methylphenyl)pyrrolidine

C11H15N — CID 3563134

IUPAC2-(4-methylphenyl)pyrrolidine
SMILESCc1ccc(C2CCCN2)cc1
InChIInChI=1S/C11H15N/c1-9-4-6-10(7-5-9)11-3-2-8-12-11/h4-7,11-12H,2-3,8H2,1H3
InChIKeyTXFISDWSKUHPET-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.42
Rot. Bonds1

About 2-(4-methylphenyl)pyrrolidine

2-(4-methylphenyl)pyrrolidine (PubChem CID 3563134) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-(4-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-methylphenyl)pyrrolidine
PubChem CID3563134
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-(4-methylphenyl)pyrrolidine
SMILESCc1ccc(C2CCCN2)cc1
InChIInChI=1S/C11H15N/c1-9-4-6-10(7-5-9)11-3-2-8-12-11/h4-7,11-12H,2-3,8H2,1H3
InChIKeyTXFISDWSKUHPET-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)pyrrolidine?
The IUPAC name of 2-(4-methylphenyl)pyrrolidine (CID 3563134) is 2-(4-methylphenyl)pyrrolidine.
What is the SMILES notation for 2-(4-methylphenyl)pyrrolidine?
The canonical SMILES for 2-(4-methylphenyl)pyrrolidine is Cc1ccc(C2CCCN2)cc1.
What is the InChIKey of 2-(4-methylphenyl)pyrrolidine?
The InChIKey is TXFISDWSKUHPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9-4-6-10(7-5-9)11-3-2-8-12-11/h4-7,11-12H,2-3,8H2,1H3.
What are the key properties of 2-(4-methylphenyl)pyrrolidine?
2-(4-methylphenyl)pyrrolidine has a molecular weight of 161.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)pyrrolidine is sourced from PubChem (CID 3563134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).