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

C14H21N3O — CID 116588362

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C14H21N3O/c1-2-17-6-5-15-14(17)13(18)9-10-7-11-3-4-12(8-10)16-11/h5-6,10-12,16H,2-4,7-9H2,1H3
InChIKeySITORMORPJHZLY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.01
Rot. Bonds4

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone (PubChem CID 116588362) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone
PubChem CID116588362
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C14H21N3O/c1-2-17-6-5-15-14(17)13(18)9-10-7-11-3-4-12(8-10)16-11/h5-6,10-12,16H,2-4,7-9H2,1H3
InChIKeySITORMORPJHZLY-UHFFFAOYSA-N
XLogP2.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.01
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-methylimidazol-2-yl)ethanone
CID 116588233
1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone
CID 103986228
3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
CID 114973036
1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606043
3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone
CID 114973016
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119892634
2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone
CID 103167849
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163
2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone
CID 116599518
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
CID 63975424

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone (CID 116588362) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is SITORMORPJHZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-17-6-5-15-14(17)13(18)9-10-7-11-3-4-12(8-10)16-11/h5-6,10-12,16H,2-4,7-9H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.01, 4 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-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 116588362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).