1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one

C9H15NO — CID 130027707

IUPAC1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCN1C2CCC1(C)CC(=O)C2
InChIInChI=1S/C9H15NO/c1-9-4-3-7(10(9)2)5-8(11)6-9/h7H,3-6H2,1-2H3
InChIKeyQAIDYMXXTSRKNL-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.20
Rot. Bonds

About 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one

1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 130027707) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID130027707
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCN1C2CCC1(C)CC(=O)C2
InChIInChI=1S/C9H15NO/c1-9-4-3-7(10(9)2)5-8(11)6-9/h7H,3-6H2,1-2H3
InChIKeyQAIDYMXXTSRKNL-UHFFFAOYSA-N
XLogP1.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tropinone
CID 446337
Npc164516
CID 79038
Tropinone hydrobromide
CID 3057566
8-Methyl-8-azabicyclo(3.2.1)octan-3-one--hydrogen chloride (1/1)
CID 199739
8-Ethyl-8-azabicyclo(3.2.1)octan-3-one
CID 272957
1-(3-Cyclohexyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458599
1-(3-Ethyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458623
8-Propyl-8-azabicyclo[3.2.1]octan-3-one
CID 23383579
2,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 54521676
(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide
CID 21115608
8-Isopropyl-3-nortropanone
CID 51416810
2-Methyl-8-azabicyclo[3.2.1]octan-3-one hydrochloride
CID 126836149

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one (CID 130027707) is 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one is CN1C2CCC1(C)CC(=O)C2.
What is the InChIKey of 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is QAIDYMXXTSRKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9-4-3-7(10(9)2)5-8(11)6-9/h7H,3-6H2,1-2H3.
What are the key properties of 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one?
1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 153.22 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 130027707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).