1-hydroxy-2-azabicyclo[2.2.1]heptan-3-one

C6H9NO2 — CID 141121433

IUPAC1-hydroxy-2-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1NC2(O)CCC1C2
InChIInChI=1S/C6H9NO2/c8-5-4-1-2-6(9,3-4)7-5/h4,9H,1-3H2,(H,7,8)
InChIKeySFZBXQALJKFXOS-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.40
Rot. Bonds

About 1-hydroxy-2-azabicyclo[2.2.1]heptan-3-one

1-hydroxy-2-azabicyclo[2.2.1]heptan-3-one (PubChem CID 141121433) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1-hydroxy-2-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name1-hydroxy-2-azabicyclo[2.2.1]heptan-3-one
PubChem CID141121433
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1-hydroxy-2-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1NC2(O)CCC1C2
InChIInChI=1S/C6H9NO2/c8-5-4-1-2-6(9,3-4)7-5/h4,9H,1-3H2,(H,7,8)
InChIKeySFZBXQALJKFXOS-UHFFFAOYSA-N
XLogP-0.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propylperoxy-2-azabicyclo[2.2.1]heptan-3-one
CID 141121434
1-Methoxy-2-azabicyclo[2.2.1]heptan-3-one
CID 142294912

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of 1-hydroxy-2-azabicyclo[2.2.1]heptan-3-one (CID 141121433) is 1-hydroxy-2-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for 1-hydroxy-2-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for 1-hydroxy-2-azabicyclo[2.2.1]heptan-3-one is O=C1NC2(O)CCC1C2.
What is the InChIKey of 1-hydroxy-2-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is SFZBXQALJKFXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-5-4-1-2-6(9,3-4)7-5/h4,9H,1-3H2,(H,7,8).
What are the key properties of 1-hydroxy-2-azabicyclo[2.2.1]heptan-3-one?
1-hydroxy-2-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 127.14 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 141121433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).