1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone

C10H17NO — CID 93498895

IUPAC1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone
SMILESCC(=O)[C@H]1CCC[C@@H]2CC[C@H]1N2
InChIInChI=1S/C10H17NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h8-11H,2-6H2,1H3/t8-,9-,10-/m1/s1
InChIKeyMBXOLPUMNTXLOV-OPRDCNLKSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds1

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

1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone (PubChem CID 93498895) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone
PubChem CID93498895
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone
SMILESCC(=O)[C@H]1CCC[C@@H]2CC[C@H]1N2
InChIInChI=1S/C10H17NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h8-11H,2-6H2,1H3/t8-,9-,10-/m1/s1
InChIKeyMBXOLPUMNTXLOV-OPRDCNLKSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone?
The IUPAC name of 1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone (CID 93498895) is 1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone.
What is the SMILES notation for 1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone?
The canonical SMILES for 1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone is CC(=O)[C@H]1CCC[C@@H]2CC[C@H]1N2.
What is the InChIKey of 1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone?
The InChIKey is MBXOLPUMNTXLOV-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h8-11H,2-6H2,1H3/t8-,9-,10-/m1/s1.
What are the key properties of 1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone?
1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone is sourced from PubChem (CID 93498895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).