1-(6-methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one

C11H17NO — CID 101167083

IUPAC1-(6-methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one
SMILESCCC(=O)C1=CCC2CC1N(C)C2
InChIInChI=1S/C11H17NO/c1-3-11(13)9-5-4-8-6-10(9)12(2)7-8/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyXLRAOKRBHDVWIU-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.62
Rot. Bonds2

About 1-(6-methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one

1-(6-methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one (PubChem CID 101167083) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(6-methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one
PubChem CID101167083
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(6-methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one
SMILESCCC(=O)C1=CCC2CC1N(C)C2
InChIInChI=1S/C11H17NO/c1-3-11(13)9-5-4-8-6-10(9)12(2)7-8/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyXLRAOKRBHDVWIU-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one?
The IUPAC name of 1-(6-methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one (CID 101167083) is 1-(6-methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one.
What is the SMILES notation for 1-(6-methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one?
The canonical SMILES for 1-(6-methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one is CCC(=O)C1=CCC2CC1N(C)C2.
What is the InChIKey of 1-(6-methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one?
The InChIKey is XLRAOKRBHDVWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-11(13)9-5-4-8-6-10(9)12(2)7-8/h5,8,10H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(6-methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one?
1-(6-methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-6-azabicyclo[3.2.1]oct-3-en-4-yl)propan-1-one is sourced from PubChem (CID 101167083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).