3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one

C11H6N2O — CID 602751

IUPAC3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one
SMILESO=C1c2cnccc2-c2ncccc21
InChIInChI=1S/C11H6N2O/c14-11-8-2-1-4-13-10(8)7-3-5-12-6-9(7)11/h1-6H
InChIKeyWUOUKJTYWJSYJL-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.69
Rot. Bonds

About 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one

3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one (PubChem CID 602751) has the molecular formula C11H6N2O and a molecular weight of 182.18 g/mol. Its IUPAC name is 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one.

Molecular Properties

Compound Name3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one
PubChem CID602751
Molecular FormulaC11H6N2O
Molecular Weight182.18 g/mol
Exact Mass182.05
IUPAC Name3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one
SMILESO=C1c2cnccc2-c2ncccc21
InChIInChI=1S/C11H6N2O/c14-11-8-2-1-4-13-10(8)7-3-5-12-6-9(7)11/h1-6H
InChIKeyWUOUKJTYWJSYJL-UHFFFAOYSA-N
XLogP1.69
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one?
The IUPAC name of 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one (CID 602751) is 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one.
What is the SMILES notation for 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one?
The canonical SMILES for 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one is O=C1c2cnccc2-c2ncccc21.
What is the InChIKey of 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one?
The InChIKey is WUOUKJTYWJSYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O/c14-11-8-2-1-4-13-10(8)7-3-5-12-6-9(7)11/h1-6H.
What are the key properties of 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one?
3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one has a molecular weight of 182.18 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one is sourced from PubChem (CID 602751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).