(1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol

C6H11NO — CID 129322320

IUPAC(1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol
SMILESO[C@H]1C[C@H]2NCC[C@@H]12
InChIInChI=1S/C6H11NO/c8-6-3-5-4(6)1-2-7-5/h4-8H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyVQIILGJJJQKLPC-PBXRRBTRSA-N
MW113.16 g/mol
LogP-0.27
Rot. Bonds

About (1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol

(1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol (PubChem CID 129322320) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol.

Molecular Properties

Compound Name(1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol
PubChem CID129322320
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol
SMILESO[C@H]1C[C@H]2NCC[C@@H]12
InChIInChI=1S/C6H11NO/c8-6-3-5-4(6)1-2-7-5/h4-8H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyVQIILGJJJQKLPC-PBXRRBTRSA-N
XLogP-0.27
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 ≤ 5-0.27
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
7-Fluoro-3-azabicyclo[3.2.0]heptan-6-ol
CID 139417371
(1R,5S,6S)-3-azabicyclo[3.2.0]heptan-6-ol
CID 22879470
(6R)-3-azabicyclo[3.2.0]heptan-6-ol
CID 55300848
(1S,5R,6R)-3-azabicyclo[3.2.0]heptan-6-ol
CID 59295128
2-Azabicyclo[3.2.0]heptan-7-ol
CID 90023879
rel-(1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol
CID 105427020
(1R,6R)-3-azabicyclo[3.2.0]heptan-6-ol
CID 117962859
(6S)-3-azabicyclo[3.2.0]heptan-6-ol
CID 122459243
2-Methyl-3-azabicyclo[3.2.0]heptan-6-ol
CID 139417372

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol?
The IUPAC name of (1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol (CID 129322320) is (1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol.
What is the SMILES notation for (1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol?
The canonical SMILES for (1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol is O[C@H]1C[C@H]2NCC[C@@H]12.
What is the InChIKey of (1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol?
The InChIKey is VQIILGJJJQKLPC-PBXRRBTRSA-N. The full InChI is InChI=1S/C6H11NO/c8-6-3-5-4(6)1-2-7-5/h4-8H,1-3H2/t4-,5-,6+/m1/s1.
What are the key properties of (1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol?
(1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol has a molecular weight of 113.16 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S)-2-azabicyclo[3.2.0]heptan-6-ol is sourced from PubChem (CID 129322320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).