1-(2,9-diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone

C11H14N2O — CID 143088900

IUPAC1-(2,9-diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone
SMILESCC(=O)N1CCC2=CC(C1)N=CC=C2
InChIInChI=1S/C11H14N2O/c1-9(14)13-6-4-10-3-2-5-12-11(7-10)8-13/h2-3,5,7,11H,4,6,8H2,1H3
InChIKeySWFAUQUWFBHSKC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.17
Rot. Bonds

About 1-(2,9-diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone

1-(2,9-diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone (PubChem CID 143088900) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(2,9-diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone.

Molecular Properties

Compound Name1-(2,9-diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone
PubChem CID143088900
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(2,9-diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone
SMILESCC(=O)N1CCC2=CC(C1)N=CC=C2
InChIInChI=1S/C11H14N2O/c1-9(14)13-6-4-10-3-2-5-12-11(7-10)8-13/h2-3,5,7,11H,4,6,8H2,1H3
InChIKeySWFAUQUWFBHSKC-UHFFFAOYSA-N
XLogP1.17
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,9-diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone?
The IUPAC name of 1-(2,9-diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone (CID 143088900) is 1-(2,9-diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone.
What is the SMILES notation for 1-(2,9-diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone?
The canonical SMILES for 1-(2,9-diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone is CC(=O)N1CCC2=CC(C1)N=CC=C2.
What is the InChIKey of 1-(2,9-diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone?
The InChIKey is SWFAUQUWFBHSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9(14)13-6-4-10-3-2-5-12-11(7-10)8-13/h2-3,5,7,11H,4,6,8H2,1H3.
What are the key properties of 1-(2,9-diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone?
1-(2,9-diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone has a molecular weight of 190.25 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,9-diazabicyclo[4.4.1]undeca-2,4,6(11)-trien-9-yl)ethanone is sourced from PubChem (CID 143088900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).