(7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one

C17H26N2O2 — CID 162934668

IUPAC(7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one
SMILESC[C@H](O)CCCCCC(=O)N1CCC[C@@H]1c1cccnc1
InChIInChI=1S/C17H26N2O2/c1-14(20)7-3-2-4-10-17(21)19-12-6-9-16(19)15-8-5-11-18-13-15/h5,8,11,13-14,16,20H,2-4,6-7,9-10,12H2,1H3/t14-,16+/m0/s1
InChIKeyAAIYOWLBULBBDR-GOEBONIOSA-N
MW290.41 g/mol
LogP3.08
Rot. Bonds7

About (7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one

(7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one (PubChem CID 162934668) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one.

Molecular Properties

Compound Name(7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one
PubChem CID162934668
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one
SMILESC[C@H](O)CCCCCC(=O)N1CCC[C@@H]1c1cccnc1
InChIInChI=1S/C17H26N2O2/c1-14(20)7-3-2-4-10-17(21)19-12-6-9-16(19)15-8-5-11-18-13-15/h5,8,11,13-14,16,20H,2-4,6-7,9-10,12H2,1H3/t14-,16+/m0/s1
InChIKeyAAIYOWLBULBBDR-GOEBONIOSA-N
XLogP3.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one 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 (7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one?
The IUPAC name of (7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one (CID 162934668) is (7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one.
What is the SMILES notation for (7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one?
The canonical SMILES for (7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one is C[C@H](O)CCCCCC(=O)N1CCC[C@@H]1c1cccnc1.
What is the InChIKey of (7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one?
The InChIKey is AAIYOWLBULBBDR-GOEBONIOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(20)7-3-2-4-10-17(21)19-12-6-9-16(19)15-8-5-11-18-13-15/h5,8,11,13-14,16,20H,2-4,6-7,9-10,12H2,1H3/t14-,16+/m0/s1.
What are the key properties of (7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one?
(7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one has a molecular weight of 290.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one is sourced from PubChem (CID 162934668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).