1,4-diazabicyclo[2.2.2]octan-2-yl(2,3-dihydrofuran-5-yl)methanone

C11H16N2O2 — CID 102651045

IUPAC1,4-diazabicyclo[2.2.2]octan-2-yl(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)C1CN2CCN1CC2
InChIInChI=1S/C11H16N2O2/c14-11(10-2-1-7-15-10)9-8-12-3-5-13(9)6-4-12/h2,9H,1,3-8H2
InChIKeyUBPRKPJDGHSNTF-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.14
Rot. Bonds2

About 1,4-diazabicyclo[2.2.2]octan-2-yl(2,3-dihydrofuran-5-yl)methanone

1,4-diazabicyclo[2.2.2]octan-2-yl(2,3-dihydrofuran-5-yl)methanone (PubChem CID 102651045) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,4-diazabicyclo[2.2.2]octan-2-yl(2,3-dihydrofuran-5-yl)methanone.

Molecular Properties

Compound Name1,4-diazabicyclo[2.2.2]octan-2-yl(2,3-dihydrofuran-5-yl)methanone
PubChem CID102651045
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1,4-diazabicyclo[2.2.2]octan-2-yl(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)C1CN2CCN1CC2
InChIInChI=1S/C11H16N2O2/c14-11(10-2-1-7-15-10)9-8-12-3-5-13(9)6-4-12/h2,9H,1,3-8H2
InChIKeyUBPRKPJDGHSNTF-UHFFFAOYSA-N
XLogP-0.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[2.2.2]octan-2-yl(2,3-dihydrofuran-5-yl)methanone?
The IUPAC name of 1,4-diazabicyclo[2.2.2]octan-2-yl(2,3-dihydrofuran-5-yl)methanone (CID 102651045) is 1,4-diazabicyclo[2.2.2]octan-2-yl(2,3-dihydrofuran-5-yl)methanone.
What is the SMILES notation for 1,4-diazabicyclo[2.2.2]octan-2-yl(2,3-dihydrofuran-5-yl)methanone?
The canonical SMILES for 1,4-diazabicyclo[2.2.2]octan-2-yl(2,3-dihydrofuran-5-yl)methanone is O=C(C1=CCCO1)C1CN2CCN1CC2.
What is the InChIKey of 1,4-diazabicyclo[2.2.2]octan-2-yl(2,3-dihydrofuran-5-yl)methanone?
The InChIKey is UBPRKPJDGHSNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11(10-2-1-7-15-10)9-8-12-3-5-13(9)6-4-12/h2,9H,1,3-8H2.
What are the key properties of 1,4-diazabicyclo[2.2.2]octan-2-yl(2,3-dihydrofuran-5-yl)methanone?
1,4-diazabicyclo[2.2.2]octan-2-yl(2,3-dihydrofuran-5-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of -0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[2.2.2]octan-2-yl(2,3-dihydrofuran-5-yl)methanone is sourced from PubChem (CID 102651045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).