1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one

C11H19NO — CID 146684746

IUPAC1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1CCC[C@@H]2CC[C@H]1N2
InChIInChI=1S/C11H19NO/c1-2-11(13)9-5-3-4-8-6-7-10(9)12-8/h8-10,12H,2-7H2,1H3/t8-,9-,10-/m1/s1
InChIKeyMVXJVRNMGNXROR-OPRDCNLKSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds2

About 1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one

1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one (PubChem CID 146684746) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one
PubChem CID146684746
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1CCC[C@@H]2CC[C@H]1N2
InChIInChI=1S/C11H19NO/c1-2-11(13)9-5-3-4-8-6-7-10(9)12-8/h8-10,12H,2-7H2,1H3/t8-,9-,10-/m1/s1
InChIKeyMVXJVRNMGNXROR-OPRDCNLKSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one?
The IUPAC name of 1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one (CID 146684746) is 1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one.
What is the SMILES notation for 1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one?
The canonical SMILES for 1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one is CCC(=O)[C@@H]1CCC[C@@H]2CC[C@H]1N2.
What is the InChIKey of 1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one?
The InChIKey is MVXJVRNMGNXROR-OPRDCNLKSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-11(13)9-5-3-4-8-6-7-10(9)12-8/h8-10,12H,2-7H2,1H3/t8-,9-,10-/m1/s1.
What are the key properties of 1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one?
1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one is sourced from PubChem (CID 146684746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).