(1R,5R,6R)-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one

C10H17NO — CID 131850686

IUPAC(1R,5R,6R)-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one
SMILESCC[C@@H]1C[C@@H]2C(=O)CC[C@H]1N2C
InChIInChI=1S/C10H17NO/c1-3-7-6-9-10(12)5-4-8(7)11(9)2/h7-9H,3-6H2,1-2H3/t7-,8-,9-/m1/s1
InChIKeyUEKNBJOOHOEHGO-IWSPIJDZSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds1

About (1R,5R,6R)-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one

(1R,5R,6R)-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one (PubChem CID 131850686) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1R,5R,6R)-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name(1R,5R,6R)-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one
PubChem CID131850686
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1R,5R,6R)-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one
SMILESCC[C@@H]1C[C@@H]2C(=O)CC[C@H]1N2C
InChIInChI=1S/C10H17NO/c1-3-7-6-9-10(12)5-4-8(7)11(9)2/h7-9H,3-6H2,1-2H3/t7-,8-,9-/m1/s1
InChIKeyUEKNBJOOHOEHGO-IWSPIJDZSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one
CID 85238719
(1S,5S,6S)-8-methyl-2-oxo-8-azabicyclo[3.2.1]octane-6-carbonitrile
CID 40528432
(1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one
CID 10825058
2-ethylcyclobutan-1-one
CID 534566
9-methyl-9-azabicyclo[4.2.1]nonan-2-one
CID 14442490
(1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one
CID 10733396
(1S,3R,5R)-3-ethyl-9-methyl-9-azabicyclo[3.3.1]nonan-2-one
CID 175626376
(1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione
CID 131019664
5-butan-2-yl-3-(2-ethylcyclopropyl)-2-propylimidazolidin-4-one
CID 114109870
4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 103502496
3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine
CID 90382204
2-(2-ethylpyrrolidin-1-yl)cycloheptan-1-one
CID 60974788

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of (1R,5R,6R)-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one (CID 131850686) is (1R,5R,6R)-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for (1R,5R,6R)-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for (1R,5R,6R)-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one is CC[C@@H]1C[C@@H]2C(=O)CC[C@H]1N2C.
What is the InChIKey of (1R,5R,6R)-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one?
The InChIKey is UEKNBJOOHOEHGO-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-7-6-9-10(12)5-4-8(7)11(9)2/h7-9H,3-6H2,1-2H3/t7-,8-,9-/m1/s1.
What are the key properties of (1R,5R,6R)-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one?
(1R,5R,6R)-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 131850686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).