4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione

C11H11NO4 — CID 156504665

IUPAC4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione
SMILESO=C1COCc2[nH]c(=O)c3c(c21)COCC3
InChIInChI=1S/C11H11NO4/c13-9-5-16-4-8-10(9)7-3-15-2-1-6(7)11(14)12-8/h1-5H2,(H,12,14)
InChIKeyZLAYXTPSQOYSHD-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.16
Rot. Bonds

About 4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione

4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione (PubChem CID 156504665) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione.

Molecular Properties

Compound Name4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione
PubChem CID156504665
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione
SMILESO=C1COCc2[nH]c(=O)c3c(c21)COCC3
InChIInChI=1S/C11H11NO4/c13-9-5-16-4-8-10(9)7-3-15-2-1-6(7)11(14)12-8/h1-5H2,(H,12,14)
InChIKeyZLAYXTPSQOYSHD-UHFFFAOYSA-N
XLogP0.16
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione?
The IUPAC name of 4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione (CID 156504665) is 4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione.
What is the SMILES notation for 4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione?
The canonical SMILES for 4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione is O=C1COCc2[nH]c(=O)c3c(c21)COCC3.
What is the InChIKey of 4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione?
The InChIKey is ZLAYXTPSQOYSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-9-5-16-4-8-10(9)7-3-15-2-1-6(7)11(14)12-8/h1-5H2,(H,12,14).
What are the key properties of 4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione?
4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione has a molecular weight of 221.21 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-dioxa-9-azatricyclo[8.4.0.02,7]tetradeca-1(10),2(7)-diene-8,14-dione is sourced from PubChem (CID 156504665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).