1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one

C11H19NO — CID 112680633

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCCC(=O)C1CC2CCC(C1)N2C
InChIInChI=1S/C11H19NO/c1-3-11(13)8-6-9-4-5-10(7-8)12(9)2/h8-10H,3-7H2,1-2H3
InChIKeyKAPSDEXIWWEECQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds2

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one (PubChem CID 112680633) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
PubChem CID112680633
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCCC(=O)C1CC2CCC(C1)N2C
InChIInChI=1S/C11H19NO/c1-3-11(13)8-6-9-4-5-10(7-8)12(9)2/h8-10H,3-7H2,1-2H3
InChIKeyKAPSDEXIWWEECQ-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 114191946
3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 171950750
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one
CID 171950108
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-methylsulfonylbutan-1-one
CID 112680687
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanone
CID 171941088
cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171939010
3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-oxopropanenitrile
CID 171938824
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 112680639
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 112680629
1-[3-(methylamino)cyclobutyl]propan-1-one
CID 165469771
5-methoxy-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one
CID 171937828
2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 115997761

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one (CID 112680633) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one is CCC(=O)C1CC2CCC(C1)N2C.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The InChIKey is KAPSDEXIWWEECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-11(13)8-6-9-4-5-10(7-8)12(9)2/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one is sourced from PubChem (CID 112680633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).