5,5,7,7-tetramethyl-1-azabicyclo[2.2.2]octan-2-one

C11H19NO — CID 602313

IUPAC5,5,7,7-tetramethyl-1-azabicyclo[2.2.2]octan-2-one
SMILESCC1(C)CN2C(=O)CC1CC2(C)C
InChIInChI=1S/C11H19NO/c1-10(2)7-12-9(13)5-8(10)6-11(12,3)4/h8H,5-7H2,1-4H3
InChIKeyKAMYLBDGYBZSRZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.04
Rot. Bonds

About 5,5,7,7-tetramethyl-1-azabicyclo[2.2.2]octan-2-one

5,5,7,7-tetramethyl-1-azabicyclo[2.2.2]octan-2-one (PubChem CID 602313) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5,5,7,7-tetramethyl-1-azabicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name5,5,7,7-tetramethyl-1-azabicyclo[2.2.2]octan-2-one
PubChem CID602313
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5,5,7,7-tetramethyl-1-azabicyclo[2.2.2]octan-2-one
SMILESCC1(C)CN2C(=O)CC1CC2(C)C
InChIInChI=1S/C11H19NO/c1-10(2)7-12-9(13)5-8(10)6-11(12,3)4/h8H,5-7H2,1-4H3
InChIKeyKAMYLBDGYBZSRZ-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,7,7-tetramethyl-1-azabicyclo[2.2.2]octan-2-one?
The IUPAC name of 5,5,7,7-tetramethyl-1-azabicyclo[2.2.2]octan-2-one (CID 602313) is 5,5,7,7-tetramethyl-1-azabicyclo[2.2.2]octan-2-one.
What is the SMILES notation for 5,5,7,7-tetramethyl-1-azabicyclo[2.2.2]octan-2-one?
The canonical SMILES for 5,5,7,7-tetramethyl-1-azabicyclo[2.2.2]octan-2-one is CC1(C)CN2C(=O)CC1CC2(C)C.
What is the InChIKey of 5,5,7,7-tetramethyl-1-azabicyclo[2.2.2]octan-2-one?
The InChIKey is KAMYLBDGYBZSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)7-12-9(13)5-8(10)6-11(12,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 5,5,7,7-tetramethyl-1-azabicyclo[2.2.2]octan-2-one?
5,5,7,7-tetramethyl-1-azabicyclo[2.2.2]octan-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetramethyl-1-azabicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 602313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).