3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one

C11H12N2O — CID 69327442

IUPAC3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one
SMILESO=C1NC=CC2CNC3=CC=CC1C32
InChIInChI=1S/C11H12N2O/c14-11-8-2-1-3-9-10(8)7(6-13-9)4-5-12-11/h1-5,7-8,10,13H,6H2,(H,12,14)
InChIKeyLTXZETWCRNCSLM-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.54
Rot. Bonds

About 3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one

3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one (PubChem CID 69327442) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one.

Molecular Properties

Compound Name3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one
PubChem CID69327442
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one
SMILESO=C1NC=CC2CNC3=CC=CC1C32
InChIInChI=1S/C11H12N2O/c14-11-8-2-1-3-9-10(8)7(6-13-9)4-5-12-11/h1-5,7-8,10,13H,6H2,(H,12,14)
InChIKeyLTXZETWCRNCSLM-UHFFFAOYSA-N
XLogP0.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one?
The IUPAC name of 3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one (CID 69327442) is 3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one.
What is the SMILES notation for 3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one?
The canonical SMILES for 3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one is O=C1NC=CC2CNC3=CC=CC1C32.
What is the InChIKey of 3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one?
The InChIKey is LTXZETWCRNCSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-11-8-2-1-3-9-10(8)7(6-13-9)4-5-12-11/h1-5,7-8,10,13H,6H2,(H,12,14).
What are the key properties of 3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one?
3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one has a molecular weight of 188.23 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one is sourced from PubChem (CID 69327442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).