2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone

C11H17NO — CID 130708819

IUPAC2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone
SMILESO=C(C1CCC1)N1CC2CCC1C2
InChIInChI=1S/C11H17NO/c13-11(9-2-1-3-9)12-7-8-4-5-10(12)6-8/h8-10H,1-7H2
InChIKeyPJJUOZOUGQPMPU-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.80
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone

2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone (PubChem CID 130708819) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone
PubChem CID130708819
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone
SMILESO=C(C1CCC1)N1CC2CCC1C2
InChIInChI=1S/C11H17NO/c13-11(9-2-1-3-9)12-7-8-4-5-10(12)6-8/h8-10H,1-7H2
InChIKeyPJJUOZOUGQPMPU-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclopentanecarbonyl-2-[2-(pyrrolidin-1-YL)ethyl]piperidine
CID 53193385
2-Azabicyclo[2.2.1]heptan-2-yl(cycloheptyl)methanone
CID 86769301
1-(2-Azabicyclo[2.2.1]heptan-2-yl)-4,4,4-trifluorobutan-1-one
CID 126784150
1-(2-Azabicyclo[2.2.1]heptan-2-yl)-2-(3,3-difluorocyclobutyl)ethanone
CID 126793869
1-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-(3,3-difluorocyclobutyl)ethanone
CID 129349333
1-(2-Azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-2-methylpropan-1-one
CID 130165365
Cyclopentyl-(2-methylpiperidin-1-yl)methanone
CID 4638880
1-(2-Azabicyclo[2.2.1]heptan-2-yl)ethanone
CID 21018605
Cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 48194160
1-[(3R)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one
CID 53803169
1-(2-Azabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-one
CID 58170160
(2S)-2,3-dimethyl-1-[(1R,4R)-3-propan-2-yl-2-azabicyclo[2.2.1]heptan-2-yl]butan-1-one
CID 58185351

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone (CID 130708819) is 2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone is O=C(C1CCC1)N1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone?
The InChIKey is PJJUOZOUGQPMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-11(9-2-1-3-9)12-7-8-4-5-10(12)6-8/h8-10H,1-7H2.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone?
2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone has a molecular weight of 179.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone is sourced from PubChem (CID 130708819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).