4-azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione

C10H5NO2 — CID 56630643

IUPAC4-azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione
SMILESO=c1[nH]c(=O)c2c3ccccc3c1-2
InChIInChI=1S/C10H5NO2/c12-9-7-5-3-1-2-4-6(5)8(7)10(13)11-9/h1-4H,(H,11,12,13)
InChIKeyLYDPOJKSGNQXBH-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.87
Rot. Bonds

About 4-azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione

4-azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione (PubChem CID 56630643) has the molecular formula C10H5NO2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 4-azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione.

Molecular Properties

Compound Name4-azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione
PubChem CID56630643
Molecular FormulaC10H5NO2
Molecular Weight171.16 g/mol
Exact Mass171.03
IUPAC Name4-azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione
SMILESO=c1[nH]c(=O)c2c3ccccc3c1-2
InChIInChI=1S/C10H5NO2/c12-9-7-5-3-1-2-4-6(5)8(7)10(13)11-9/h1-4H,(H,11,12,13)
InChIKeyLYDPOJKSGNQXBH-UHFFFAOYSA-N
XLogP0.87
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione?
The IUPAC name of 4-azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione (CID 56630643) is 4-azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione.
What is the SMILES notation for 4-azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione?
The canonical SMILES for 4-azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione is O=c1[nH]c(=O)c2c3ccccc3c1-2.
What is the InChIKey of 4-azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione?
The InChIKey is LYDPOJKSGNQXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NO2/c12-9-7-5-3-1-2-4-6(5)8(7)10(13)11-9/h1-4H,(H,11,12,13).
What are the key properties of 4-azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione?
4-azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione has a molecular weight of 171.16 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione is sourced from PubChem (CID 56630643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).