3-phenyl-2-pyrrolidin-2-ylpyridine

C15H16N2 — CID 115008660

IUPAC3-phenyl-2-pyrrolidin-2-ylpyridine
SMILESc1ccc(-c2cccnc2C2CCCN2)cc1
InChIInChI=1S/C15H16N2/c1-2-6-12(7-3-1)13-8-4-11-17-15(13)14-9-5-10-16-14/h1-4,6-8,11,14,16H,5,9-10H2
InChIKeyJVTIDSNKPQGPHI-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.17
Rot. Bonds2

About 3-phenyl-2-pyrrolidin-2-ylpyridine

3-phenyl-2-pyrrolidin-2-ylpyridine (PubChem CID 115008660) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-phenyl-2-pyrrolidin-2-ylpyridine.

Molecular Properties

Compound Name3-phenyl-2-pyrrolidin-2-ylpyridine
PubChem CID115008660
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name3-phenyl-2-pyrrolidin-2-ylpyridine
SMILESc1ccc(-c2cccnc2C2CCCN2)cc1
InChIInChI=1S/C15H16N2/c1-2-6-12(7-3-1)13-8-4-11-17-15(13)14-9-5-10-16-14/h1-4,6-8,11,14,16H,5,9-10H2
InChIKeyJVTIDSNKPQGPHI-UHFFFAOYSA-N
XLogP3.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-pyrrolidin-2-ylpyridine?
The IUPAC name of 3-phenyl-2-pyrrolidin-2-ylpyridine (CID 115008660) is 3-phenyl-2-pyrrolidin-2-ylpyridine.
What is the SMILES notation for 3-phenyl-2-pyrrolidin-2-ylpyridine?
The canonical SMILES for 3-phenyl-2-pyrrolidin-2-ylpyridine is c1ccc(-c2cccnc2C2CCCN2)cc1.
What is the InChIKey of 3-phenyl-2-pyrrolidin-2-ylpyridine?
The InChIKey is JVTIDSNKPQGPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-2-6-12(7-3-1)13-8-4-11-17-15(13)14-9-5-10-16-14/h1-4,6-8,11,14,16H,5,9-10H2.
What are the key properties of 3-phenyl-2-pyrrolidin-2-ylpyridine?
3-phenyl-2-pyrrolidin-2-ylpyridine has a molecular weight of 224.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-pyrrolidin-2-ylpyridine is sourced from PubChem (CID 115008660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).