3-benzylpyrrolidine;hydrochloride

C11H16ClN — CID 45074440

IUPAC3-benzylpyrrolidine;hydrochloride
SMILESCl.c1ccc(CC2CCNC2)cc1
InChIInChI=1S/C11H15N.ClH/c1-2-4-10(5-3-1)8-11-6-7-12-9-11;/h1-5,11-12H,6-9H2;1H
InChIKeyMOHPRQHABSPJSO-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.26
Rot. Bonds2

About 3-benzylpyrrolidine;hydrochloride

3-benzylpyrrolidine;hydrochloride (PubChem CID 45074440) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 3-benzylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-benzylpyrrolidine;hydrochloride
PubChem CID45074440
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name3-benzylpyrrolidine;hydrochloride
SMILESCl.c1ccc(CC2CCNC2)cc1
InChIInChI=1S/C11H15N.ClH/c1-2-4-10(5-3-1)8-11-6-7-12-9-11;/h1-5,11-12H,6-9H2;1H
InChIKeyMOHPRQHABSPJSO-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-benzylpyrrolidine;hydrochloride 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;hydrochloride?
The IUPAC name of 3-benzylpyrrolidine;hydrochloride (CID 45074440) is 3-benzylpyrrolidine;hydrochloride.
What is the SMILES notation for 3-benzylpyrrolidine;hydrochloride?
The canonical SMILES for 3-benzylpyrrolidine;hydrochloride is Cl.c1ccc(CC2CCNC2)cc1.
What is the InChIKey of 3-benzylpyrrolidine;hydrochloride?
The InChIKey is MOHPRQHABSPJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-2-4-10(5-3-1)8-11-6-7-12-9-11;/h1-5,11-12H,6-9H2;1H.
What are the key properties of 3-benzylpyrrolidine;hydrochloride?
3-benzylpyrrolidine;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylpyrrolidine;hydrochloride is sourced from PubChem (CID 45074440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).