10-oxo-13-oxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,7,11-tetraene-11-carboxylic acid

C12H9NO4 — CID 82390736

IUPAC10-oxo-13-oxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,7,11-tetraene-11-carboxylic acid
SMILESO=C(O)c1coc2nc3c(cc2c1=O)CCC3
InChIInChI=1S/C12H9NO4/c14-10-7-4-6-2-1-3-9(6)13-11(7)17-5-8(10)12(15)16/h4-5H,1-3H2,(H,15,16)
InChIKeyLGDMIWBJGVGZPY-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.37
Rot. Bonds1

About 10-oxo-13-oxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,7,11-tetraene-11-carboxylic acid

10-oxo-13-oxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,7,11-tetraene-11-carboxylic acid (PubChem CID 82390736) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is 10-oxo-13-oxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,7,11-tetraene-11-carboxylic acid.

Molecular Properties

Compound Name10-oxo-13-oxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,7,11-tetraene-11-carboxylic acid
PubChem CID82390736
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC Name10-oxo-13-oxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,7,11-tetraene-11-carboxylic acid
SMILESO=C(O)c1coc2nc3c(cc2c1=O)CCC3
InChIInChI=1S/C12H9NO4/c14-10-7-4-6-2-1-3-9(6)13-11(7)17-5-8(10)12(15)16/h4-5H,1-3H2,(H,15,16)
InChIKeyLGDMIWBJGVGZPY-UHFFFAOYSA-N
XLogP1.37
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-oxo-13-oxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,7,11-tetraene-11-carboxylic acid?
The IUPAC name of 10-oxo-13-oxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,7,11-tetraene-11-carboxylic acid (CID 82390736) is 10-oxo-13-oxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,7,11-tetraene-11-carboxylic acid.
What is the SMILES notation for 10-oxo-13-oxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,7,11-tetraene-11-carboxylic acid?
The canonical SMILES for 10-oxo-13-oxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,7,11-tetraene-11-carboxylic acid is O=C(O)c1coc2nc3c(cc2c1=O)CCC3.
What is the InChIKey of 10-oxo-13-oxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,7,11-tetraene-11-carboxylic acid?
The InChIKey is LGDMIWBJGVGZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4/c14-10-7-4-6-2-1-3-9(6)13-11(7)17-5-8(10)12(15)16/h4-5H,1-3H2,(H,15,16).
What are the key properties of 10-oxo-13-oxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,7,11-tetraene-11-carboxylic acid?
10-oxo-13-oxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,7,11-tetraene-11-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-13-oxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,7,11-tetraene-11-carboxylic acid is sourced from PubChem (CID 82390736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).