[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

C18H20N2O2 — CID 71870505

IUPAC[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC1CC(O)c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-17(14-6-2-1-3-7-14)12-16-9-5-11-20(16)18(22)15-8-4-10-19-13-15/h1-4,6-8,10,13,16-17,21H,5,9,11-12H2
InChIKeyJLPFULDZBZFQBO-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.81
Rot. Bonds4

About [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 71870505) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID71870505
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC1CC(O)c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-17(14-6-2-1-3-7-14)12-16-9-5-11-20(16)18(22)15-8-4-10-19-13-15/h1-4,6-8,10,13,16-17,21H,5,9,11-12H2
InChIKeyJLPFULDZBZFQBO-UHFFFAOYSA-N
XLogP2.81
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone 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-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 71870505) is [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCCC1CC(O)c1ccccc1.
What is the InChIKey of [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is JLPFULDZBZFQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17(14-6-2-1-3-7-14)12-16-9-5-11-20(16)18(22)15-8-4-10-19-13-15/h1-4,6-8,10,13,16-17,21H,5,9,11-12H2.
What are the key properties of [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 296.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 71870505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).