3,6,6,7,7,8-hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one

C13H21NO — CID 22949081

IUPAC3,6,6,7,7,8-hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one
SMILESCC1=CC2N(C)C(C1=O)C(C)(C)C2(C)C
InChIInChI=1S/C13H21NO/c1-8-7-9-12(2,3)13(4,5)11(10(8)15)14(9)6/h7,9,11H,1-6H3
InChIKeyXTSXUIHJYLEUJV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.25
Rot. Bonds

About 3,6,6,7,7,8-hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one

3,6,6,7,7,8-hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one (PubChem CID 22949081) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3,6,6,7,7,8-hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name3,6,6,7,7,8-hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one
PubChem CID22949081
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3,6,6,7,7,8-hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one
SMILESCC1=CC2N(C)C(C1=O)C(C)(C)C2(C)C
InChIInChI=1S/C13H21NO/c1-8-7-9-12(2,3)13(4,5)11(10(8)15)14(9)6/h7,9,11H,1-6H3
InChIKeyXTSXUIHJYLEUJV-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6,6-Trimethyl-5-pyrrolidin-1-ylcyclohex-2-en-1-one
CID 12840225
3,6,7,8-Tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one
CID 22949082
1-(2-Tert-butyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)-2,2-dimethylpropan-1-one
CID 58341311
(7R)-3,6,7,8-tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one
CID 59875568
(1S,5R)-4-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one
CID 68636479
4,4-Dimethyl-6-methylidene-3-(pyrrolidin-1-ylmethyl)cyclohex-2-en-1-one
CID 139820251
2-Ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one
CID 142434257
1-[(4E)-1-tert-butyl-4-ethylidenepyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 154973914
7-Methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one
CID 13438394
(1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 15013841
1-(6-Methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one
CID 101167083
1-(Cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 106651968

Frequently Asked Questions

What is the IUPAC name of 3,6,6,7,7,8-hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of 3,6,6,7,7,8-hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one (CID 22949081) is 3,6,6,7,7,8-hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for 3,6,6,7,7,8-hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for 3,6,6,7,7,8-hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one is CC1=CC2N(C)C(C1=O)C(C)(C)C2(C)C.
What is the InChIKey of 3,6,6,7,7,8-hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is XTSXUIHJYLEUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-8-7-9-12(2,3)13(4,5)11(10(8)15)14(9)6/h7,9,11H,1-6H3.
What are the key properties of 3,6,6,7,7,8-hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
3,6,6,7,7,8-hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 207.32 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6,7,7,8-hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 22949081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).