2,4-diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione

C11H10N2O2 — CID 168966718

IUPAC2,4-diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione
SMILESO=C1CCn2c3c([nH]c2=O)C=CC=CC13
InChIInChI=1S/C11H10N2O2/c14-9-5-6-13-10-7(9)3-1-2-4-8(10)12-11(13)15/h1-4,7H,5-6H2,(H,12,15)
InChIKeyHDOKPOFNUYGQFE-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.82
Rot. Bonds

About 2,4-diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione

2,4-diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione (PubChem CID 168966718) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2,4-diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione.

Molecular Properties

Compound Name2,4-diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione
PubChem CID168966718
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2,4-diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione
SMILESO=C1CCn2c3c([nH]c2=O)C=CC=CC13
InChIInChI=1S/C11H10N2O2/c14-9-5-6-13-10-7(9)3-1-2-4-8(10)12-11(13)15/h1-4,7H,5-6H2,(H,12,15)
InChIKeyHDOKPOFNUYGQFE-UHFFFAOYSA-N
XLogP0.82
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione?
The IUPAC name of 2,4-diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione (CID 168966718) is 2,4-diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione.
What is the SMILES notation for 2,4-diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione?
The canonical SMILES for 2,4-diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione is O=C1CCn2c3c([nH]c2=O)C=CC=CC13.
What is the InChIKey of 2,4-diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione?
The InChIKey is HDOKPOFNUYGQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-9-5-6-13-10-7(9)3-1-2-4-8(10)12-11(13)15/h1-4,7H,5-6H2,(H,12,15).
What are the key properties of 2,4-diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione?
2,4-diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione has a molecular weight of 202.21 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diazatricyclo[6.4.1.04,13]trideca-1(13),9,11-triene-3,7-dione is sourced from PubChem (CID 168966718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).