2-(3-phenylprop-1-ynyl)pyrrolidine

C13H15N — CID 68554662

IUPAC2-(3-phenylprop-1-ynyl)pyrrolidine
SMILESC(#CC1CCCN1)Cc1ccccc1
InChIInChI=1S/C13H15N/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13-14H,5,8,10-11H2
InChIKeyGZGFIRFKRQWDHJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.98
Rot. Bonds1

About 2-(3-phenylprop-1-ynyl)pyrrolidine

2-(3-phenylprop-1-ynyl)pyrrolidine (PubChem CID 68554662) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(3-phenylprop-1-ynyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-phenylprop-1-ynyl)pyrrolidine
PubChem CID68554662
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-(3-phenylprop-1-ynyl)pyrrolidine
SMILESC(#CC1CCCN1)Cc1ccccc1
InChIInChI=1S/C13H15N/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13-14H,5,8,10-11H2
InChIKeyGZGFIRFKRQWDHJ-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(3-phenylprop-1-ynyl)pyrrolidine 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 2-(3-phenylprop-1-ynyl)pyrrolidine?
The IUPAC name of 2-(3-phenylprop-1-ynyl)pyrrolidine (CID 68554662) is 2-(3-phenylprop-1-ynyl)pyrrolidine.
What is the SMILES notation for 2-(3-phenylprop-1-ynyl)pyrrolidine?
The canonical SMILES for 2-(3-phenylprop-1-ynyl)pyrrolidine is C(#CC1CCCN1)Cc1ccccc1.
What is the InChIKey of 2-(3-phenylprop-1-ynyl)pyrrolidine?
The InChIKey is GZGFIRFKRQWDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13-14H,5,8,10-11H2.
What are the key properties of 2-(3-phenylprop-1-ynyl)pyrrolidine?
2-(3-phenylprop-1-ynyl)pyrrolidine has a molecular weight of 185.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-1-ynyl)pyrrolidine is sourced from PubChem (CID 68554662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).