(1R,5R)-3-azabicyclo[3.2.1]octan-8-one

C7H11NO — CID 98052490

IUPAC(1R,5R)-3-azabicyclo[3.2.1]octan-8-one
SMILESO=C1[C@@H]2CC[C@@H]1CNC2
InChIInChI=1S/C7H11NO/c9-7-5-1-2-6(7)4-8-3-5/h5-6,8H,1-4H2/t5-,6-/m1/s1
InChIKeyLKWRGVRWBYLOFM-PHDIDXHHSA-N
MW125.17 g/mol
LogP0.18
Rot. Bonds

About (1R,5R)-3-azabicyclo[3.2.1]octan-8-one

(1R,5R)-3-azabicyclo[3.2.1]octan-8-one (PubChem CID 98052490) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (1R,5R)-3-azabicyclo[3.2.1]octan-8-one.

Molecular Properties

Compound Name(1R,5R)-3-azabicyclo[3.2.1]octan-8-one
PubChem CID98052490
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(1R,5R)-3-azabicyclo[3.2.1]octan-8-one
SMILESO=C1[C@@H]2CC[C@@H]1CNC2
InChIInChI=1S/C7H11NO/c9-7-5-1-2-6(7)4-8-3-5/h5-6,8H,1-4H2/t5-,6-/m1/s1
InChIKeyLKWRGVRWBYLOFM-PHDIDXHHSA-N
XLogP0.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5R)-3-azabicyclo[3.2.1]octan-8-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

5-methyl-3-azabicyclo[5.2.1]decan-10-one
CID 143710984
(1S,5S)-3-azabicyclo[3.1.1]heptan-6-one
CID 98137974
3,6-diazabicyclo[3.2.2]nonan-7-one;hydrochloride
CID 167716973
(1S,6S)-bicyclo[4.2.1]nonan-9-one
CID 98153778
2-(azetidin-3-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 105439666
3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 105430476
bicyclo[1.1.1]pentan-2-one
CID 13356641
7-methyl-3-azabicyclo[3.3.1]nonan-6-one
CID 143710986
3,5-dihydroxypiperidin-4-one
CID 91327610
3-[(4-chlorophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 82023869
2-(azetidin-3-yl)-5-cyclopropylpyrimidine
CID 59418290
2-azatricyclo[11.7.2.23,11]tetracosan-12-one
CID 138534164

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-azabicyclo[3.2.1]octan-8-one?
The IUPAC name of (1R,5R)-3-azabicyclo[3.2.1]octan-8-one (CID 98052490) is (1R,5R)-3-azabicyclo[3.2.1]octan-8-one.
What is the SMILES notation for (1R,5R)-3-azabicyclo[3.2.1]octan-8-one?
The canonical SMILES for (1R,5R)-3-azabicyclo[3.2.1]octan-8-one is O=C1[C@@H]2CC[C@@H]1CNC2.
What is the InChIKey of (1R,5R)-3-azabicyclo[3.2.1]octan-8-one?
The InChIKey is LKWRGVRWBYLOFM-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11NO/c9-7-5-1-2-6(7)4-8-3-5/h5-6,8H,1-4H2/t5-,6-/m1/s1.
What are the key properties of (1R,5R)-3-azabicyclo[3.2.1]octan-8-one?
(1R,5R)-3-azabicyclo[3.2.1]octan-8-one has a molecular weight of 125.17 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-azabicyclo[3.2.1]octan-8-one is sourced from PubChem (CID 98052490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).