1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone

C12H16N2O2 — CID 83172966

IUPAC1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)C1CN2CCN1CC2
InChIInChI=1S/C12H16N2O2/c15-12(8-10-2-1-7-16-10)11-9-13-3-5-14(11)6-4-13/h1-2,7,11H,3-6,8-9H2
InChIKeyVNPLSHHTGIMRCW-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.39
Rot. Bonds3

About 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone (PubChem CID 83172966) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone
PubChem CID83172966
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)C1CN2CCN1CC2
InChIInChI=1S/C12H16N2O2/c15-12(8-10-2-1-7-16-10)11-9-13-3-5-14(11)6-4-13/h1-2,7,11H,3-6,8-9H2
InChIKeyVNPLSHHTGIMRCW-UHFFFAOYSA-N
XLogP0.39
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331
1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone
CID 83619262
2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105125804
2-(furan-2-yl)-1-morpholin-2-ylethanone
CID 116561702
2-(furan-2-yl)-1-(2-phenylcyclopropyl)ethanone
CID 115795569
1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone
CID 83171692
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanone
CID 167784706
2-(furan-2-yl)-N-piperidin-4-ylacetamide
CID 110484596
N-cyclopentyl-2-(furan-2-yl)acetamide
CID 110690587
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one
CID 83698973

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone?
The IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone (CID 83172966) is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone is O=C(Cc1ccco1)C1CN2CCN1CC2.
What is the InChIKey of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone?
The InChIKey is VNPLSHHTGIMRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(8-10-2-1-7-16-10)11-9-13-3-5-14(11)6-4-13/h1-2,7,11H,3-6,8-9H2.
What are the key properties of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone?
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone has a molecular weight of 220.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(furan-2-yl)ethanone is sourced from PubChem (CID 83172966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).