3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene

C7H4N2O2 — CID 131852954

IUPAC3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene
SMILESc1ncc2c(n1)C1=C2OCO1
InChIInChI=1S/C7H4N2O2/c1-4-5(9-2-8-1)7-6(4)10-3-11-7/h1-2H,3H2
InChIKeyOEFLRQMAHDGOCQ-UHFFFAOYSA-N
MW148.12 g/mol
LogP0.62
Rot. Bonds

About 3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene

3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene (PubChem CID 131852954) has the molecular formula C7H4N2O2 and a molecular weight of 148.12 g/mol. Its IUPAC name is 3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene.

Molecular Properties

Compound Name3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene
PubChem CID131852954
Molecular FormulaC7H4N2O2
Molecular Weight148.12 g/mol
Exact Mass148.03
IUPAC Name3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene
SMILESc1ncc2c(n1)C1=C2OCO1
InChIInChI=1S/C7H4N2O2/c1-4-5(9-2-8-1)7-6(4)10-3-11-7/h1-2H,3H2
InChIKeyOEFLRQMAHDGOCQ-UHFFFAOYSA-N
XLogP0.62
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene?
The IUPAC name of 3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene (CID 131852954) is 3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene.
What is the SMILES notation for 3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene?
The canonical SMILES for 3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene is c1ncc2c(n1)C1=C2OCO1.
What is the InChIKey of 3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene?
The InChIKey is OEFLRQMAHDGOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O2/c1-4-5(9-2-8-1)7-6(4)10-3-11-7/h1-2H,3H2.
What are the key properties of 3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene?
3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene has a molecular weight of 148.12 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dioxa-8,10-diazatricyclo[5.4.0.02,6]undeca-1(11),2(6),7,9-tetraene is sourced from PubChem (CID 131852954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).