1-azabicyclo[3.3.1]nonan-3-one

C8H13NO — CID 10374530

IUPAC1-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCN(C1)C2
InChIInChI=1S/C8H13NO/c10-8-4-7-2-1-3-9(5-7)6-8/h7H,1-6H2
InChIKeyLCZITSRPFSQODU-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.67
Rot. Bonds

About 1-azabicyclo[3.3.1]nonan-3-one

1-azabicyclo[3.3.1]nonan-3-one (PubChem CID 10374530) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name1-azabicyclo[3.3.1]nonan-3-one
PubChem CID10374530
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCN(C1)C2
InChIInChI=1S/C8H13NO/c10-8-4-7-2-1-3-9(5-7)6-8/h7H,1-6H2
InChIKeyLCZITSRPFSQODU-UHFFFAOYSA-N
XLogP0.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 1-azabicyclo[3.3.1]nonan-3-one (CID 10374530) is 1-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 1-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 1-azabicyclo[3.3.1]nonan-3-one is O=C1CC2CCCN(C1)C2.
What is the InChIKey of 1-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is LCZITSRPFSQODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-8-4-7-2-1-3-9(5-7)6-8/h7H,1-6H2.
What are the key properties of 1-azabicyclo[3.3.1]nonan-3-one?
1-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 139.20 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 10374530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).