1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone

C12H21NO — CID 91573225

IUPAC1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone
SMILESCC(=O)C1CC2CC(C)CC(C1)N2C
InChIInChI=1S/C12H21NO/c1-8-4-11-6-10(9(2)14)7-12(5-8)13(11)3/h8,10-12H,4-7H2,1-3H3
InChIKeyKKYZMUNZKQAPGJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.08
Rot. Bonds1

About 1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone

1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone (PubChem CID 91573225) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone.

Molecular Properties

Compound Name1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone
PubChem CID91573225
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone
SMILESCC(=O)C1CC2CC(C)CC(C1)N2C
InChIInChI=1S/C12H21NO/c1-8-4-11-6-10(9(2)14)7-12(5-8)13(11)3/h8,10-12H,4-7H2,1-3H3
InChIKeyKKYZMUNZKQAPGJ-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone with MolForge

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Related Compounds

n-Butyl 3-quinuclidinone
CID 68419469
(1S,5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-one
CID 51893182
(6S,8R,9aR)-6,8-dimethyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
CID 44185465
(8R,9aR)-8-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
CID 134942263
3-Propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
CID 134963983
(5S)-9-acetyl-1-pentyl-9-azabicyclo[3.3.1]nonan-3-one
CID 135039954
(2S,10aS)-2-methyl-2,3,4,6,7,8,10,10a-octahydro-1H-pyrido[1,2-a]azepin-9-one
CID 162403326
9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl-
CID 145308
1-(9-Azabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one
CID 171938023
6-Fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexan-1-one
CID 171938024
1-(9-Azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one
CID 171938703
5-Fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one
CID 171938704

Frequently Asked Questions

What is the IUPAC name of 1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone?
The IUPAC name of 1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone (CID 91573225) is 1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone.
What is the SMILES notation for 1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone?
The canonical SMILES for 1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone is CC(=O)C1CC2CC(C)CC(C1)N2C.
What is the InChIKey of 1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone?
The InChIKey is KKYZMUNZKQAPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8-4-11-6-10(9(2)14)7-12(5-8)13(11)3/h8,10-12H,4-7H2,1-3H3.
What are the key properties of 1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone?
1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone has a molecular weight of 195.31 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanone is sourced from PubChem (CID 91573225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).