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

C10H17NO — CID 93498894

IUPAC1-[(1R,2R,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-KXUCPTDWSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds1

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

1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone (PubChem CID 93498894) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone
PubChem CID93498894
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(1R,2R,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-KXUCPTDWSA-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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Related Compounds

(1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride
CID 133268759
1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron
CID 158478466
trans-(1S,2S)-2-acetylcyclopentane-1-carboxylic acid
CID 98774560
methyl (1R,2S,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 12068849
methyl (1R,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 131071322
2-acetylcyclopentane-1-carbothioic S-acid
CID 139900215
1-(8-acetyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethanone
CID 70178194
1-(2-bromocyclopentyl)ethanone
CID 68839604
methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride
CID 75525587
(1S,6R,7S)-9-azabicyclo[4.2.1]nonane-7-carboxylic acid
CID 101178675
8-azabicyclo[3.2.1]octane;hydron
CID 68548681
1-[(1R,2S)-2-(methylaminooxy)cyclopentyl]ethanone
CID 45086087

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone?
The IUPAC name of 1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone (CID 93498894) is 1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone.
What is the SMILES notation for 1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone?
The canonical SMILES for 1-[(1R,2R,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,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone?
The InChIKey is MBXOLPUMNTXLOV-KXUCPTDWSA-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,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone?
1-[(1R,2R,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,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone is sourced from PubChem (CID 93498894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).