(5R,6S)-1-azabicyclo[3.2.1]octan-6-ol

C7H13NO — CID 45087323

IUPAC(5R,6S)-1-azabicyclo[3.2.1]octan-6-ol
SMILESO[C@@H]1CN2CCC[C@@H]1C2
InChIInChI=1S/C7H13NO/c9-7-5-8-3-1-2-6(7)4-8/h6-7,9H,1-5H2/t6-,7-/m1/s1
InChIKeyROZOWQBTMUUFPZ-RNFRBKRXSA-N
MW127.19 g/mol
LogP0.07
Rot. Bonds

About (5R,6S)-1-azabicyclo[3.2.1]octan-6-ol

(5R,6S)-1-azabicyclo[3.2.1]octan-6-ol (PubChem CID 45087323) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (5R,6S)-1-azabicyclo[3.2.1]octan-6-ol.

Molecular Properties

Compound Name(5R,6S)-1-azabicyclo[3.2.1]octan-6-ol
PubChem CID45087323
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(5R,6S)-1-azabicyclo[3.2.1]octan-6-ol
SMILESO[C@@H]1CN2CCC[C@@H]1C2
InChIInChI=1S/C7H13NO/c9-7-5-8-3-1-2-6(7)4-8/h6-7,9H,1-5H2/t6-,7-/m1/s1
InChIKeyROZOWQBTMUUFPZ-RNFRBKRXSA-N
XLogP0.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-1-azabicyclo[3.2.1]octan-6-ol?
The IUPAC name of (5R,6S)-1-azabicyclo[3.2.1]octan-6-ol (CID 45087323) is (5R,6S)-1-azabicyclo[3.2.1]octan-6-ol.
What is the SMILES notation for (5R,6S)-1-azabicyclo[3.2.1]octan-6-ol?
The canonical SMILES for (5R,6S)-1-azabicyclo[3.2.1]octan-6-ol is O[C@@H]1CN2CCC[C@@H]1C2.
What is the InChIKey of (5R,6S)-1-azabicyclo[3.2.1]octan-6-ol?
The InChIKey is ROZOWQBTMUUFPZ-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13NO/c9-7-5-8-3-1-2-6(7)4-8/h6-7,9H,1-5H2/t6-,7-/m1/s1.
What are the key properties of (5R,6S)-1-azabicyclo[3.2.1]octan-6-ol?
(5R,6S)-1-azabicyclo[3.2.1]octan-6-ol has a molecular weight of 127.19 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-1-azabicyclo[3.2.1]octan-6-ol is sourced from PubChem (CID 45087323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).