6-cyano-4-oxochromene-2-carboxylic acid

C11H5NO4 — CID 122200604

IUPAC6-cyano-4-oxochromene-2-carboxylic acid
SMILESN#Cc1ccc2oc(C(=O)O)cc(=O)c2c1
InChIInChI=1S/C11H5NO4/c12-5-6-1-2-9-7(3-6)8(13)4-10(16-9)11(14)15/h1-4H,(H,14,15)
InChIKeyABAURTVUWMOURX-UHFFFAOYSA-N
MW215.16 g/mol
LogP1.36
Rot. Bonds1

About 6-cyano-4-oxochromene-2-carboxylic acid

6-cyano-4-oxochromene-2-carboxylic acid (PubChem CID 122200604) has the molecular formula C11H5NO4 and a molecular weight of 215.16 g/mol. Its IUPAC name is 6-cyano-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name6-cyano-4-oxochromene-2-carboxylic acid
PubChem CID122200604
Molecular FormulaC11H5NO4
Molecular Weight215.16 g/mol
Exact Mass215.02
IUPAC Name6-cyano-4-oxochromene-2-carboxylic acid
SMILESN#Cc1ccc2oc(C(=O)O)cc(=O)c2c1
InChIInChI=1S/C11H5NO4/c12-5-6-1-2-9-7(3-6)8(13)4-10(16-9)11(14)15/h1-4H,(H,14,15)
InChIKeyABAURTVUWMOURX-UHFFFAOYSA-N
XLogP1.36
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-4-oxochromene-2-carboxylic acid?
The IUPAC name of 6-cyano-4-oxochromene-2-carboxylic acid (CID 122200604) is 6-cyano-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 6-cyano-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 6-cyano-4-oxochromene-2-carboxylic acid is N#Cc1ccc2oc(C(=O)O)cc(=O)c2c1.
What is the InChIKey of 6-cyano-4-oxochromene-2-carboxylic acid?
The InChIKey is ABAURTVUWMOURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5NO4/c12-5-6-1-2-9-7(3-6)8(13)4-10(16-9)11(14)15/h1-4H,(H,14,15).
What are the key properties of 6-cyano-4-oxochromene-2-carboxylic acid?
6-cyano-4-oxochromene-2-carboxylic acid has a molecular weight of 215.16 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 122200604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).