7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one

C11H8N2O — CID 15461166

IUPAC7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one
SMILESO=c1n2ccccc2c2ccccn12
InChIInChI=1S/C11H8N2O/c14-11-12-7-3-1-5-9(12)10-6-2-4-8-13(10)11/h1-8H
InChIKeyZVIKNFXUMZGNDP-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.55
Rot. Bonds

About 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one

7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one (PubChem CID 15461166) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one.

Molecular Properties

Compound Name7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one
PubChem CID15461166
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one
SMILESO=c1n2ccccc2c2ccccn12
InChIInChI=1S/C11H8N2O/c14-11-12-7-3-1-5-9(12)10-6-2-4-8-13(10)11/h1-8H
InChIKeyZVIKNFXUMZGNDP-UHFFFAOYSA-N
XLogP1.55
TPSA25.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one?
The IUPAC name of 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one (CID 15461166) is 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one.
What is the SMILES notation for 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one?
The canonical SMILES for 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one is O=c1n2ccccc2c2ccccn12.
What is the InChIKey of 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one?
The InChIKey is ZVIKNFXUMZGNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-11-12-7-3-1-5-9(12)10-6-2-4-8-13(10)11/h1-8H.
What are the key properties of 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one?
7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one has a molecular weight of 184.20 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-8-one is sourced from PubChem (CID 15461166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).