3-azabicyclo[3.2.1]octan-2-one

C7H11NO — CID 548825

IUPAC3-azabicyclo[3.2.1]octan-2-one
SMILESO=C1NCC2CCC1C2
InChIInChI=1S/C7H11NO/c9-7-6-2-1-5(3-6)4-8-7/h5-6H,1-4H2,(H,8,9)
InChIKeyVIJCSXWSAGILRP-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.53
Rot. Bonds

About 3-azabicyclo[3.2.1]octan-2-one

3-azabicyclo[3.2.1]octan-2-one (PubChem CID 548825) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name3-azabicyclo[3.2.1]octan-2-one
PubChem CID548825
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-azabicyclo[3.2.1]octan-2-one
SMILESO=C1NCC2CCC1C2
InChIInChI=1S/C7H11NO/c9-7-6-2-1-5(3-6)4-8-7/h5-6H,1-4H2,(H,8,9)
InChIKeyVIJCSXWSAGILRP-UHFFFAOYSA-N
XLogP0.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of 3-azabicyclo[3.2.1]octan-2-one (CID 548825) is 3-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 3-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for 3-azabicyclo[3.2.1]octan-2-one is O=C1NCC2CCC1C2.
What is the InChIKey of 3-azabicyclo[3.2.1]octan-2-one?
The InChIKey is VIJCSXWSAGILRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c9-7-6-2-1-5(3-6)4-8-7/h5-6H,1-4H2,(H,8,9).
What are the key properties of 3-azabicyclo[3.2.1]octan-2-one?
3-azabicyclo[3.2.1]octan-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 548825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).