3-benzylpyrrolidine

C11H15N — CID 3829791

IUPAC3-benzylpyrrolidine
SMILESc1ccc(CC2CCNC2)cc1
InChIInChI=1S/C11H15N/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-5,11-12H,6-9H2
InChIKeyHFBLCYZEOGXHDP-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.84
Rot. Bonds2

About 3-benzylpyrrolidine

3-benzylpyrrolidine (PubChem CID 3829791) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-benzylpyrrolidine.

Molecular Properties

Compound Name3-benzylpyrrolidine
PubChem CID3829791
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name3-benzylpyrrolidine
SMILESc1ccc(CC2CCNC2)cc1
InChIInChI=1S/C11H15N/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-5,11-12H,6-9H2
InChIKeyHFBLCYZEOGXHDP-UHFFFAOYSA-N
XLogP1.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-benzylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzylpyrrolidine?
The IUPAC name of 3-benzylpyrrolidine (CID 3829791) is 3-benzylpyrrolidine.
What is the SMILES notation for 3-benzylpyrrolidine?
The canonical SMILES for 3-benzylpyrrolidine is c1ccc(CC2CCNC2)cc1.
What is the InChIKey of 3-benzylpyrrolidine?
The InChIKey is HFBLCYZEOGXHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-5,11-12H,6-9H2.
What are the key properties of 3-benzylpyrrolidine?
3-benzylpyrrolidine has a molecular weight of 161.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylpyrrolidine is sourced from PubChem (CID 3829791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).