2-azabicyclo[3.3.1]nonan-6-one

C8H13NO — CID 57485743

IUPAC2-azabicyclo[3.3.1]nonan-6-one
SMILESO=C1CCC2CC1CCN2
InChIInChI=1S/C8H13NO/c10-8-2-1-7-5-6(8)3-4-9-7/h6-7,9H,1-5H2
InChIKeyWSOFBNJQUDZLQO-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.72
Rot. Bonds

About 2-azabicyclo[3.3.1]nonan-6-one

2-azabicyclo[3.3.1]nonan-6-one (PubChem CID 57485743) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-azabicyclo[3.3.1]nonan-6-one.

Molecular Properties

Compound Name2-azabicyclo[3.3.1]nonan-6-one
PubChem CID57485743
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-azabicyclo[3.3.1]nonan-6-one
SMILESO=C1CCC2CC1CCN2
InChIInChI=1S/C8H13NO/c10-8-2-1-7-5-6(8)3-4-9-7/h6-7,9H,1-5H2
InChIKeyWSOFBNJQUDZLQO-UHFFFAOYSA-N
XLogP0.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[3.3.1]nonan-6-one?
The IUPAC name of 2-azabicyclo[3.3.1]nonan-6-one (CID 57485743) is 2-azabicyclo[3.3.1]nonan-6-one.
What is the SMILES notation for 2-azabicyclo[3.3.1]nonan-6-one?
The canonical SMILES for 2-azabicyclo[3.3.1]nonan-6-one is O=C1CCC2CC1CCN2.
What is the InChIKey of 2-azabicyclo[3.3.1]nonan-6-one?
The InChIKey is WSOFBNJQUDZLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-8-2-1-7-5-6(8)3-4-9-7/h6-7,9H,1-5H2.
What are the key properties of 2-azabicyclo[3.3.1]nonan-6-one?
2-azabicyclo[3.3.1]nonan-6-one has a molecular weight of 139.20 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[3.3.1]nonan-6-one is sourced from PubChem (CID 57485743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).