6,6-dimethyl-1-azabicyclo[2.2.2]octan-3-one;6-ethyl-1-azabicyclo[2.2.2]octan-3-one

C18H30N2O2 — CID 158783528

IUPAC6,6-dimethyl-1-azabicyclo[2.2.2]octan-3-one;6-ethyl-1-azabicyclo[2.2.2]octan-3-one
SMILESCC1(C)CC2CCN1CC2=O.CCC1CC2CCN1CC2=O
InChIInChI=1S/2C9H15NO/c1-9(2)5-7-3-4-10(9)6-8(7)11;1-2-8-5-7-3-4-10(8)6-9(7)11/h7H,3-6H2,1-2H3;7-8H,2-6H2,1H3
InChIKeyIRJQOQZDDJOZAE-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.12
Rot. Bonds1

About 6,6-dimethyl-1-azabicyclo[2.2.2]octan-3-one;6-ethyl-1-azabicyclo[2.2.2]octan-3-one

6,6-dimethyl-1-azabicyclo[2.2.2]octan-3-one;6-ethyl-1-azabicyclo[2.2.2]octan-3-one (PubChem CID 158783528) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 6,6-dimethyl-1-azabicyclo[2.2.2]octan-3-one;6-ethyl-1-azabicyclo[2.2.2]octan-3-one.

Molecular Properties

Compound Name6,6-dimethyl-1-azabicyclo[2.2.2]octan-3-one;6-ethyl-1-azabicyclo[2.2.2]octan-3-one
PubChem CID158783528
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name6,6-dimethyl-1-azabicyclo[2.2.2]octan-3-one;6-ethyl-1-azabicyclo[2.2.2]octan-3-one
SMILESCC1(C)CC2CCN1CC2=O.CCC1CC2CCN1CC2=O
InChIInChI=1S/2C9H15NO/c1-9(2)5-7-3-4-10(9)6-8(7)11;1-2-8-5-7-3-4-10(8)6-9(7)11/h7H,3-6H2,1-2H3;7-8H,2-6H2,1H3
InChIKeyIRJQOQZDDJOZAE-UHFFFAOYSA-N
XLogP2.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-azabicyclo[2.2.2]octan-3-one;6-ethyl-1-azabicyclo[2.2.2]octan-3-one?
The IUPAC name of 6,6-dimethyl-1-azabicyclo[2.2.2]octan-3-one;6-ethyl-1-azabicyclo[2.2.2]octan-3-one (CID 158783528) is 6,6-dimethyl-1-azabicyclo[2.2.2]octan-3-one;6-ethyl-1-azabicyclo[2.2.2]octan-3-one.
What is the SMILES notation for 6,6-dimethyl-1-azabicyclo[2.2.2]octan-3-one;6-ethyl-1-azabicyclo[2.2.2]octan-3-one?
The canonical SMILES for 6,6-dimethyl-1-azabicyclo[2.2.2]octan-3-one;6-ethyl-1-azabicyclo[2.2.2]octan-3-one is CC1(C)CC2CCN1CC2=O.CCC1CC2CCN1CC2=O.
What is the InChIKey of 6,6-dimethyl-1-azabicyclo[2.2.2]octan-3-one;6-ethyl-1-azabicyclo[2.2.2]octan-3-one?
The InChIKey is IRJQOQZDDJOZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H15NO/c1-9(2)5-7-3-4-10(9)6-8(7)11;1-2-8-5-7-3-4-10(8)6-9(7)11/h7H,3-6H2,1-2H3;7-8H,2-6H2,1H3.
What are the key properties of 6,6-dimethyl-1-azabicyclo[2.2.2]octan-3-one;6-ethyl-1-azabicyclo[2.2.2]octan-3-one?
6,6-dimethyl-1-azabicyclo[2.2.2]octan-3-one;6-ethyl-1-azabicyclo[2.2.2]octan-3-one has a molecular weight of 306.45 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-azabicyclo[2.2.2]octan-3-one;6-ethyl-1-azabicyclo[2.2.2]octan-3-one is sourced from PubChem (CID 158783528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).