(1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol

C6H11NO — CID 59295128

IUPAC(1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol
SMILESO[C@@H]1C[C@@H]2CNC[C@@H]21
InChIInChI=1S/C6H11NO/c8-6-1-4-2-7-3-5(4)6/h4-8H,1-3H2/t4-,5+,6-/m1/s1
InChIKeyXFBQQBXIYXFYKY-NGJCXOISSA-N
MW113.16 g/mol
LogP-0.41
Rot. Bonds

About (1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol

(1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol (PubChem CID 59295128) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol.

Molecular Properties

Compound Name(1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol
PubChem CID59295128
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol
SMILESO[C@@H]1C[C@@H]2CNC[C@@H]21
InChIInChI=1S/C6H11NO/c8-6-1-4-2-7-3-5(4)6/h4-8H,1-3H2/t4-,5+,6-/m1/s1
InChIKeyXFBQQBXIYXFYKY-NGJCXOISSA-N
XLogP-0.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Azabicyclo(3.2.0)heptan-6-ol
CID 21475391
rac-(1R,5R,6S)-2-azabicyclo(3.2.0)heptan-6-ol hydrochloride
CID 131698382
rac-(1R,5R,6R)-2-azabicyclo[3.2.0]heptan-6-ol hydrochloride
CID 131698383
rac-[(1R,5R,6S)-3-azabicyclo[3.2.0]heptan-6-yl]methanol hydrochloride
CID 136589502
rac-(1R,5S)-3-azabicyclo(3.2.0)heptan-1-ol hydrochloride
CID 165693392
7-Fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-6-ol
CID 122450702
6-Azaspiro[3.4]octan-1-ol
CID 122458919
7-Fluoro-3-azabicyclo[3.2.0]heptan-6-ol
CID 139417371
(1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol
CID 129322320
rac-(1R,5S)-3-azabicyclo[3.2.0]heptan-1-ol
CID 165693393
(6-Fluoro-3-azabicyclo[3.2.0]heptan-6-yl)methanol
CID 171704055
1-Methyl-3-azabicyclo[3.2.0]heptan-6-ol
CID 21475404

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol?
The IUPAC name of (1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol (CID 59295128) is (1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol.
What is the SMILES notation for (1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol?
The canonical SMILES for (1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol is O[C@@H]1C[C@@H]2CNC[C@@H]21.
What is the InChIKey of (1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol?
The InChIKey is XFBQQBXIYXFYKY-NGJCXOISSA-N. The full InChI is InChI=1S/C6H11NO/c8-6-1-4-2-7-3-5(4)6/h4-8H,1-3H2/t4-,5+,6-/m1/s1.
What are the key properties of (1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol?
(1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol has a molecular weight of 113.16 g/mol, XLogP of -0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol is sourced from PubChem (CID 59295128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).