(1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one

C13H15NO2 — CID 155164341

IUPAC(1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1[C@@H]2C[C@@H](CC2O)N1Cc1ccccc1
InChIInChI=1S/C13H15NO2/c15-12-7-10-6-11(12)13(16)14(10)8-9-4-2-1-3-5-9/h1-5,10-12,15H,6-8H2/t10-,11+,12?/m0/s1
InChIKeyZVUCUYLKJSPNQK-WIKAKEFZSA-N
MW217.27 g/mol
LogP1.17
Rot. Bonds2

About (1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one

(1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one (PubChem CID 155164341) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name(1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one
PubChem CID155164341
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1[C@@H]2C[C@@H](CC2O)N1Cc1ccccc1
InChIInChI=1S/C13H15NO2/c15-12-7-10-6-11(12)13(16)14(10)8-9-4-2-1-3-5-9/h1-5,10-12,15H,6-8H2/t10-,11+,12?/m0/s1
InChIKeyZVUCUYLKJSPNQK-WIKAKEFZSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4S,5S,6S)-2-benzyl-4-chloro-6-hydroxy-2-azabicyclo[3.3.1]nonan-3-one
CID 100971707
(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
CID 156527480
(1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-3,5-dione
CID 131863341
(1R,4S,5R)-2-benzyl-5-methoxy-2-azabicyclo[2.2.2]octan-3-one
CID 50937013
(1S,6R)-7-benzyl-7-azabicyclo[4.2.0]octan-8-one
CID 14190975
3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one
CID 139809899
(3S,5S)-1-benzyl-3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 134931077
[(1R,4R,6S,7R)-2-benzyl-7-bromo-3-oxo-2-azabicyclo[2.2.1]heptan-6-yl] acetate
CID 10616952
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
(1S,3R,5R,6R)-7-benzyl-3,5-dihydroxy-3-methyl-2-oxa-7-azabicyclo[4.2.0]octan-8-one
CID 102040133
2-benzyl-6-methylidene-2-azabicyclo[2.2.1]heptan-3-one
CID 59730616
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of (1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one (CID 155164341) is (1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for (1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for (1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one is O=C1[C@@H]2C[C@@H](CC2O)N1Cc1ccccc1.
What is the InChIKey of (1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is ZVUCUYLKJSPNQK-WIKAKEFZSA-N. The full InChI is InChI=1S/C13H15NO2/c15-12-7-10-6-11(12)13(16)14(10)8-9-4-2-1-3-5-9/h1-5,10-12,15H,6-8H2/t10-,11+,12?/m0/s1.
What are the key properties of (1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one?
(1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 155164341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).