(1S,5S)-3-azabicyclo[3.2.1]octan-8-ol

C7H13NO — CID 98114773

IUPAC(1S,5S)-3-azabicyclo[3.2.1]octan-8-ol
SMILESOC1[C@H]2CC[C@H]1CNC2
InChIInChI=1S/C7H13NO/c9-7-5-1-2-6(7)4-8-3-5/h5-9H,1-4H2/t5-,6-/m0/s1
InChIKeyXPZYBFOYRKOKPL-WDSKDSINSA-N
MW127.19 g/mol
LogP-0.02
Rot. Bonds

About (1S,5S)-3-azabicyclo[3.2.1]octan-8-ol

(1S,5S)-3-azabicyclo[3.2.1]octan-8-ol (PubChem CID 98114773) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1S,5S)-3-azabicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name(1S,5S)-3-azabicyclo[3.2.1]octan-8-ol
PubChem CID98114773
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1S,5S)-3-azabicyclo[3.2.1]octan-8-ol
SMILESOC1[C@H]2CC[C@H]1CNC2
InChIInChI=1S/C7H13NO/c9-7-5-1-2-6(7)4-8-3-5/h5-9H,1-4H2/t5-,6-/m0/s1
InChIKeyXPZYBFOYRKOKPL-WDSKDSINSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S)-3-azabicyclo[3.2.0]heptane
CID 86330104
(3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
CID 99123348
(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ol
CID 74889665
(3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride
CID 91800946
3-azabicyclo[3.2.2]nonan-6-ol
CID 58023136
(1R,4R)-2-azabicyclo[2.2.1]heptan-7-ol
CID 55253029
3-azabicyclo[3.2.1]octan-8-amine
CID 18540942
(1S,5R)-8-methyl-3-azabicyclo[3.2.1]octane
CID 139316349
9-hydroxy-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 84659651
ethane;8-methyl-3-azabicyclo[3.2.1]octane
CID 155722306
(3R,5R)-piperidine-3,4,5-triol
CID 10464382
tricyclo[4.3.1.13,8]undecane-2,7-diol
CID 12673622

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-azabicyclo[3.2.1]octan-8-ol?
The IUPAC name of (1S,5S)-3-azabicyclo[3.2.1]octan-8-ol (CID 98114773) is (1S,5S)-3-azabicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for (1S,5S)-3-azabicyclo[3.2.1]octan-8-ol?
The canonical SMILES for (1S,5S)-3-azabicyclo[3.2.1]octan-8-ol is OC1[C@H]2CC[C@H]1CNC2.
What is the InChIKey of (1S,5S)-3-azabicyclo[3.2.1]octan-8-ol?
The InChIKey is XPZYBFOYRKOKPL-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13NO/c9-7-5-1-2-6(7)4-8-3-5/h5-9H,1-4H2/t5-,6-/m0/s1.
What are the key properties of (1S,5S)-3-azabicyclo[3.2.1]octan-8-ol?
(1S,5S)-3-azabicyclo[3.2.1]octan-8-ol has a molecular weight of 127.19 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-azabicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 98114773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).