4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one

C9H6N2O3 — CID 155225582

IUPAC4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one
SMILESO=C1OCC2=COc3ncccc3N12
InChIInChI=1S/C9H6N2O3/c12-9-11-6(5-14-9)4-13-8-7(11)2-1-3-10-8/h1-4H,5H2
InChIKeyGIDBOBHFJXCUDU-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.27
Rot. Bonds

About 4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one

4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one (PubChem CID 155225582) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one.

Molecular Properties

Compound Name4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one
PubChem CID155225582
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one
SMILESO=C1OCC2=COc3ncccc3N12
InChIInChI=1S/C9H6N2O3/c12-9-11-6(5-14-9)4-13-8-7(11)2-1-3-10-8/h1-4H,5H2
InChIKeyGIDBOBHFJXCUDU-UHFFFAOYSA-N
XLogP1.27
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one with MolForge

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Related Compounds

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[1,3]dioxolo[4,5-b]pyridine
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3-phenyl-1,3-oxazolidine-2,4-dione
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3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one
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1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
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4-oxa-6,12,17-triazatetracyclo[12.2.1.02,12.05,10]heptadeca-1(16),2,5(10),6,8,14-hexaen-11-one
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Frequently Asked Questions

What is the IUPAC name of 4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one?
The IUPAC name of 4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one (CID 155225582) is 4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one.
What is the SMILES notation for 4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one?
The canonical SMILES for 4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one is O=C1OCC2=COc3ncccc3N12.
What is the InChIKey of 4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one?
The InChIKey is GIDBOBHFJXCUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-9-11-6(5-14-9)4-13-8-7(11)2-1-3-10-8/h1-4H,5H2.
What are the key properties of 4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one?
4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one has a molecular weight of 190.16 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dioxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-3-one is sourced from PubChem (CID 155225582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).