(5R)-1-azabicyclo[3.3.1]nonan-2-one

C8H13NO — CID 12638197

IUPAC(5R)-1-azabicyclo[3.3.1]nonan-2-one
SMILESO=C1CC[C@H]2CCCN1C2
InChIInChI=1S/C8H13NO/c10-8-4-3-7-2-1-5-9(8)6-7/h7H,1-6H2/t7-/m1/s1
InChIKeyLQWWDNCXHUPJLQ-SSDOTTSWSA-N
MW139.20 g/mol
LogP1.02
Rot. Bonds

About (5R)-1-azabicyclo[3.3.1]nonan-2-one

(5R)-1-azabicyclo[3.3.1]nonan-2-one (PubChem CID 12638197) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (5R)-1-azabicyclo[3.3.1]nonan-2-one.

Molecular Properties

Compound Name(5R)-1-azabicyclo[3.3.1]nonan-2-one
PubChem CID12638197
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(5R)-1-azabicyclo[3.3.1]nonan-2-one
SMILESO=C1CC[C@H]2CCCN1C2
InChIInChI=1S/C8H13NO/c10-8-4-3-7-2-1-5-9(8)6-7/h7H,1-6H2/t7-/m1/s1
InChIKeyLQWWDNCXHUPJLQ-SSDOTTSWSA-N
XLogP1.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-azabicyclo[3.3.1]nonan-2-one?
The IUPAC name of (5R)-1-azabicyclo[3.3.1]nonan-2-one (CID 12638197) is (5R)-1-azabicyclo[3.3.1]nonan-2-one.
What is the SMILES notation for (5R)-1-azabicyclo[3.3.1]nonan-2-one?
The canonical SMILES for (5R)-1-azabicyclo[3.3.1]nonan-2-one is O=C1CC[C@H]2CCCN1C2.
What is the InChIKey of (5R)-1-azabicyclo[3.3.1]nonan-2-one?
The InChIKey is LQWWDNCXHUPJLQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO/c10-8-4-3-7-2-1-5-9(8)6-7/h7H,1-6H2/t7-/m1/s1.
What are the key properties of (5R)-1-azabicyclo[3.3.1]nonan-2-one?
(5R)-1-azabicyclo[3.3.1]nonan-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-azabicyclo[3.3.1]nonan-2-one is sourced from PubChem (CID 12638197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).