2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone

C13H19N3O — CID 116588233

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C13H19N3O/c1-16-5-4-14-13(16)12(17)8-9-6-10-2-3-11(7-9)15-10/h4-5,9-11,15H,2-3,6-8H2,1H3
InChIKeyBQVSNXUCHHAFLY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.52
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone (PubChem CID 116588233) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone
PubChem CID116588233
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C13H19N3O/c1-16-5-4-14-13(16)12(17)8-9-6-10-2-3-11(7-9)15-10/h4-5,9-11,15H,2-3,6-8H2,1H3
InChIKeyBQVSNXUCHHAFLY-UHFFFAOYSA-N
XLogP1.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116588362
2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone
CID 103167849
9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone
CID 171937463
7-azabicyclo[2.2.1]heptan-2-yl-(1-methylimidazol-2-yl)methanone
CID 116575884
2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone
CID 82468293
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride
CID 119710712
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114670083
1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone
CID 103986228
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119782035
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119892634
2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone
CID 79078425
(2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone
CID 60659997

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone (CID 116588233) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone is Cn1ccnc1C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone?
The InChIKey is BQVSNXUCHHAFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16-5-4-14-13(16)12(17)8-9-6-10-2-3-11(7-9)15-10/h4-5,9-11,15H,2-3,6-8H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 116588233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).