1-[1-(2-methylphenyl)ethenyl]pyrrolidine

C13H17N — CID 10899387

IUPAC1-[1-(2-methylphenyl)ethenyl]pyrrolidine
SMILESC=C(c1ccccc1C)N1CCCC1
InChIInChI=1S/C13H17N/c1-11-7-3-4-8-13(11)12(2)14-9-5-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyFJSXQHNUPCJHAB-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.06
Rot. Bonds2

About 1-[1-(2-methylphenyl)ethenyl]pyrrolidine

1-[1-(2-methylphenyl)ethenyl]pyrrolidine (PubChem CID 10899387) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)ethenyl]pyrrolidine
PubChem CID10899387
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-[1-(2-methylphenyl)ethenyl]pyrrolidine
SMILESC=C(c1ccccc1C)N1CCCC1
InChIInChI=1S/C13H17N/c1-11-7-3-4-8-13(11)12(2)14-9-5-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyFJSXQHNUPCJHAB-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[1-(2-methylphenyl)ethenyl]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 1-[1-(2-methylphenyl)ethenyl]pyrrolidine?
The IUPAC name of 1-[1-(2-methylphenyl)ethenyl]pyrrolidine (CID 10899387) is 1-[1-(2-methylphenyl)ethenyl]pyrrolidine.
What is the SMILES notation for 1-[1-(2-methylphenyl)ethenyl]pyrrolidine?
The canonical SMILES for 1-[1-(2-methylphenyl)ethenyl]pyrrolidine is C=C(c1ccccc1C)N1CCCC1.
What is the InChIKey of 1-[1-(2-methylphenyl)ethenyl]pyrrolidine?
The InChIKey is FJSXQHNUPCJHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-11-7-3-4-8-13(11)12(2)14-9-5-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of 1-[1-(2-methylphenyl)ethenyl]pyrrolidine?
1-[1-(2-methylphenyl)ethenyl]pyrrolidine has a molecular weight of 187.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)ethenyl]pyrrolidine is sourced from PubChem (CID 10899387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).