8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione

C13H14N2O4 — CID 59304706

IUPAC8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione
SMILESO=c1[nH]c(=O)c2c3c(c(=O)oc2[nH]1)CCCCCC3
InChIInChI=1S/C13H14N2O4/c16-10-9-7-5-3-1-2-4-6-8(7)12(17)19-11(9)15-13(18)14-10/h1-6H2,(H2,14,15,16,18)
InChIKeyWUUNJCBGLDTVBO-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.83
Rot. Bonds

About 8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione

8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione (PubChem CID 59304706) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione.

Molecular Properties

Compound Name8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione
PubChem CID59304706
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione
SMILESO=c1[nH]c(=O)c2c3c(c(=O)oc2[nH]1)CCCCCC3
InChIInChI=1S/C13H14N2O4/c16-10-9-7-5-3-1-2-4-6-8(7)12(17)19-11(9)15-13(18)14-10/h1-6H2,(H2,14,15,16,18)
InChIKeyWUUNJCBGLDTVBO-UHFFFAOYSA-N
XLogP0.83
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione?
The IUPAC name of 8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione (CID 59304706) is 8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione.
What is the SMILES notation for 8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione?
The canonical SMILES for 8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione is O=c1[nH]c(=O)c2c3c(c(=O)oc2[nH]1)CCCCCC3.
What is the InChIKey of 8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione?
The InChIKey is WUUNJCBGLDTVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-10-9-7-5-3-1-2-4-6-8(7)12(17)19-11(9)15-13(18)14-10/h1-6H2,(H2,14,15,16,18).
What are the key properties of 8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione?
8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione has a molecular weight of 262.26 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione is sourced from PubChem (CID 59304706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).