3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one

C11H19NO — CID 43810815

IUPAC3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one
SMILESCC(C)(C)N1CC2CCC(C1)C2=O
InChIInChI=1S/C11H19NO/c1-11(2,3)12-6-8-4-5-9(7-12)10(8)13/h8-9H,4-7H2,1-3H3
InChIKeyULYNZYHJGBWFLO-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.70
Rot. Bonds

About 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one

3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one (PubChem CID 43810815) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one.

Molecular Properties

Compound Name3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one
PubChem CID43810815
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one
SMILESCC(C)(C)N1CC2CCC(C1)C2=O
InChIInChI=1S/C11H19NO/c1-11(2,3)12-6-8-4-5-9(7-12)10(8)13/h8-9H,4-7H2,1-3H3
InChIKeyULYNZYHJGBWFLO-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one?
The IUPAC name of 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one (CID 43810815) is 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one.
What is the SMILES notation for 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one?
The canonical SMILES for 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one is CC(C)(C)N1CC2CCC(C1)C2=O.
What is the InChIKey of 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one?
The InChIKey is ULYNZYHJGBWFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(2,3)12-6-8-4-5-9(7-12)10(8)13/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one?
3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one has a molecular weight of 181.28 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-one is sourced from PubChem (CID 43810815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).