3-phenylpyrrolidine

C10H13N — CID 3146743

IUPAC3-phenylpyrrolidine
SMILESc1ccc(C2CCNC2)cc1
InChIInChI=1S/C10H13N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-5,10-11H,6-8H2
InChIKeyPRRFFTYUBPGHLE-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.76
Rot. Bonds1

About 3-phenylpyrrolidine

3-phenylpyrrolidine (PubChem CID 3146743) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-phenylpyrrolidine.

Molecular Properties

Compound Name3-phenylpyrrolidine
PubChem CID3146743
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3-phenylpyrrolidine
SMILESc1ccc(C2CCNC2)cc1
InChIInChI=1S/C10H13N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-5,10-11H,6-8H2
InChIKeyPRRFFTYUBPGHLE-UHFFFAOYSA-N
XLogP1.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-phenylpyrrolidine 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-phenylpyrrolidine?
The IUPAC name of 3-phenylpyrrolidine (CID 3146743) is 3-phenylpyrrolidine.
What is the SMILES notation for 3-phenylpyrrolidine?
The canonical SMILES for 3-phenylpyrrolidine is c1ccc(C2CCNC2)cc1.
What is the InChIKey of 3-phenylpyrrolidine?
The InChIKey is PRRFFTYUBPGHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-5,10-11H,6-8H2.
What are the key properties of 3-phenylpyrrolidine?
3-phenylpyrrolidine has a molecular weight of 147.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpyrrolidine is sourced from PubChem (CID 3146743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).