1,4-diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone

C12H16N2O2 — CID 10242580

IUPAC1,4-diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN2CCC1CC2
InChIInChI=1S/C12H16N2O2/c15-12(11-2-1-9-16-11)14-8-7-13-5-3-10(14)4-6-13/h1-2,9-10H,3-8H2
InChIKeyQAQZGYOOSFWULK-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.20
Rot. Bonds1

About 1,4-diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone

1,4-diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone (PubChem CID 10242580) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1,4-diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone.

Molecular Properties

Compound Name1,4-diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone
PubChem CID10242580
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1,4-diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN2CCC1CC2
InChIInChI=1S/C12H16N2O2/c15-12(11-2-1-9-16-11)14-8-7-13-5-3-10(14)4-6-13/h1-2,9-10H,3-8H2
InChIKeyQAQZGYOOSFWULK-UHFFFAOYSA-N
XLogP1.20
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone?
The IUPAC name of 1,4-diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone (CID 10242580) is 1,4-diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone.
What is the SMILES notation for 1,4-diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone?
The canonical SMILES for 1,4-diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone is O=C(c1ccco1)N1CCN2CCC1CC2.
What is the InChIKey of 1,4-diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone?
The InChIKey is QAQZGYOOSFWULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(11-2-1-9-16-11)14-8-7-13-5-3-10(14)4-6-13/h1-2,9-10H,3-8H2.
What are the key properties of 1,4-diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone?
1,4-diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone has a molecular weight of 220.27 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone is sourced from PubChem (CID 10242580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).