2-(2-phenylethyl)pyrrolidine

C12H17N — CID 3722272

IUPAC2-(2-phenylethyl)pyrrolidine
SMILESc1ccc(CCC2CCCN2)cc1
InChIInChI=1S/C12H17N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,12-13H,4,7-10H2
InChIKeyCOZIXZLDDAZRGK-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.37
Rot. Bonds3

About 2-(2-phenylethyl)pyrrolidine

2-(2-phenylethyl)pyrrolidine (PubChem CID 3722272) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-(2-phenylethyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-phenylethyl)pyrrolidine
PubChem CID3722272
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2-(2-phenylethyl)pyrrolidine
SMILESc1ccc(CCC2CCCN2)cc1
InChIInChI=1S/C12H17N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,12-13H,4,7-10H2
InChIKeyCOZIXZLDDAZRGK-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)pyrrolidine?
The IUPAC name of 2-(2-phenylethyl)pyrrolidine (CID 3722272) is 2-(2-phenylethyl)pyrrolidine.
What is the SMILES notation for 2-(2-phenylethyl)pyrrolidine?
The canonical SMILES for 2-(2-phenylethyl)pyrrolidine is c1ccc(CCC2CCCN2)cc1.
What is the InChIKey of 2-(2-phenylethyl)pyrrolidine?
The InChIKey is COZIXZLDDAZRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,12-13H,4,7-10H2.
What are the key properties of 2-(2-phenylethyl)pyrrolidine?
2-(2-phenylethyl)pyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)pyrrolidine is sourced from PubChem (CID 3722272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).