3,4,6,7,8-pentamethyl-8-azabicyclo[3.2.1]octan-2-one

C12H21NO — CID 22949080

IUPAC3,4,6,7,8-pentamethyl-8-azabicyclo[3.2.1]octan-2-one
SMILESCC1C(=O)C2C(C)C(C)C(C1C)N2C
InChIInChI=1S/C12H21NO/c1-6-7(2)11-12(14)9(4)8(3)10(6)13(11)5/h6-11H,1-5H3
InChIKeyBJPJXQFXMPAPIS-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.80
Rot. Bonds

About 3,4,6,7,8-pentamethyl-8-azabicyclo[3.2.1]octan-2-one

3,4,6,7,8-pentamethyl-8-azabicyclo[3.2.1]octan-2-one (PubChem CID 22949080) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3,4,6,7,8-pentamethyl-8-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name3,4,6,7,8-pentamethyl-8-azabicyclo[3.2.1]octan-2-one
PubChem CID22949080
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3,4,6,7,8-pentamethyl-8-azabicyclo[3.2.1]octan-2-one
SMILESCC1C(=O)C2C(C)C(C)C(C1C)N2C
InChIInChI=1S/C12H21NO/c1-6-7(2)11-12(14)9(4)8(3)10(6)13(11)5/h6-11H,1-5H3
InChIKeyBJPJXQFXMPAPIS-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8-pentamethyl-8-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of 3,4,6,7,8-pentamethyl-8-azabicyclo[3.2.1]octan-2-one (CID 22949080) is 3,4,6,7,8-pentamethyl-8-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 3,4,6,7,8-pentamethyl-8-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for 3,4,6,7,8-pentamethyl-8-azabicyclo[3.2.1]octan-2-one is CC1C(=O)C2C(C)C(C)C(C1C)N2C.
What is the InChIKey of 3,4,6,7,8-pentamethyl-8-azabicyclo[3.2.1]octan-2-one?
The InChIKey is BJPJXQFXMPAPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-7(2)11-12(14)9(4)8(3)10(6)13(11)5/h6-11H,1-5H3.
What are the key properties of 3,4,6,7,8-pentamethyl-8-azabicyclo[3.2.1]octan-2-one?
3,4,6,7,8-pentamethyl-8-azabicyclo[3.2.1]octan-2-one has a molecular weight of 195.31 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8-pentamethyl-8-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 22949080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).