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

C11H17NO — CID 22949082

IUPAC3,6,7,8-tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one
SMILESCC1=CC2C(C)C(C)C(C1=O)N2C
InChIInChI=1S/C11H17NO/c1-6-5-9-7(2)8(3)10(11(6)13)12(9)4/h5,7-10H,1-4H3
InChIKeyQAXGFFVYNNFHRT-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.47
Rot. Bonds

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

3,6,7,8-tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one (PubChem CID 22949082) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3,6,7,8-tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name3,6,7,8-tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one
PubChem CID22949082
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3,6,7,8-tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one
SMILESCC1=CC2C(C)C(C)C(C1=O)N2C
InChIInChI=1S/C11H17NO/c1-6-5-9-7(2)8(3)10(11(6)13)12(9)4/h5,7-10H,1-4H3
InChIKeyQAXGFFVYNNFHRT-UHFFFAOYSA-N
XLogP1.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Grandisine D
CID 16040172
(6E)-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclohexan-1-one
CID 10465625
(2E)-2-[[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]methylidene]-6-methylcyclohexan-1-one
CID 11775744
(2Z)-2-[[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]methylidene]-6-methylcyclohexan-1-one
CID 44350318
(6Z)-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclohexan-1-one
CID 44350168
8-Methyl-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carbonitrile
CID 376753
8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile
CID 376754
(1R,5S)-8-butanoyl-3-ethyl-8-azabicyclo[3.2.1]oct-3-en-2-one
CID 139255456
(1S,5R,6R)-8-methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile
CID 21581630
1-(2-Methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)ethanone
CID 13614144
1-(1-Methyl-2,3,3a,4,5,7a-hexahydroindol-2-yl)ethanone
CID 18740776
3,6,6,7,7,8-Hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one
CID 22949081

Frequently Asked Questions

What is the IUPAC name of 3,6,7,8-tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of 3,6,7,8-tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one (CID 22949082) is 3,6,7,8-tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for 3,6,7,8-tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for 3,6,7,8-tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one is CC1=CC2C(C)C(C)C(C1=O)N2C.
What is the InChIKey of 3,6,7,8-tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is QAXGFFVYNNFHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-6-5-9-7(2)8(3)10(11(6)13)12(9)4/h5,7-10H,1-4H3.
What are the key properties of 3,6,7,8-tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
3,6,7,8-tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 179.26 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8-tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 22949082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).