10-(2,6-dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione

C13H10N4O4 — CID 163655579

IUPAC10-(2,6-dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione
SMILESO=C1CCC(N2C(=O)CC3=CN=C=CN=C3C2=O)C(=O)N1
InChIInChI=1S/C13H10N4O4/c18-9-2-1-8(12(20)16-9)17-10(19)5-7-6-14-3-4-15-11(7)13(17)21/h4,6,8H,1-2,5H2,(H,16,18,20)
InChIKeyIPYBBQSGMFNRLN-UHFFFAOYSA-N
MW286.25 g/mol
LogP-0.93
Rot. Bonds1

About 10-(2,6-dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione

10-(2,6-dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione (PubChem CID 163655579) has the molecular formula C13H10N4O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is 10-(2,6-dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione.

Molecular Properties

Compound Name10-(2,6-dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione
PubChem CID163655579
Molecular FormulaC13H10N4O4
Molecular Weight286.25 g/mol
Exact Mass286.07
IUPAC Name10-(2,6-dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione
SMILESO=C1CCC(N2C(=O)CC3=CN=C=CN=C3C2=O)C(=O)N1
InChIInChI=1S/C13H10N4O4/c18-9-2-1-8(12(20)16-9)17-10(19)5-7-6-14-3-4-15-11(7)13(17)21/h4,6,8H,1-2,5H2,(H,16,18,20)
InChIKeyIPYBBQSGMFNRLN-UHFFFAOYSA-N
XLogP-0.93
TPSA108.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(2,6-dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione?
The IUPAC name of 10-(2,6-dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione (CID 163655579) is 10-(2,6-dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione.
What is the SMILES notation for 10-(2,6-dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione?
The canonical SMILES for 10-(2,6-dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione is O=C1CCC(N2C(=O)CC3=CN=C=CN=C3C2=O)C(=O)N1.
What is the InChIKey of 10-(2,6-dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione?
The InChIKey is IPYBBQSGMFNRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4/c18-9-2-1-8(12(20)16-9)17-10(19)5-7-6-14-3-4-15-11(7)13(17)21/h4,6,8H,1-2,5H2,(H,16,18,20).
What are the key properties of 10-(2,6-dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione?
10-(2,6-dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione has a molecular weight of 286.25 g/mol, XLogP of -0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,6-dioxopiperidin-3-yl)-2,5,10-triazabicyclo[5.4.0]undeca-1,3,4,6-tetraene-9,11-dione is sourced from PubChem (CID 163655579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).