7-cyano-4-oxochromene-2-carboxylic acid

C11H5NO4 — CID 151758187

IUPAC7-cyano-4-oxochromene-2-carboxylic acid
SMILESN#Cc1ccc2c(=O)cc(C(=O)O)oc2c1
InChIInChI=1S/C11H5NO4/c12-5-6-1-2-7-8(13)4-10(11(14)15)16-9(7)3-6/h1-4H,(H,14,15)
InChIKeyRPZISFXKCBHXAI-UHFFFAOYSA-N
MW215.16 g/mol
LogP1.36
Rot. Bonds1

About 7-cyano-4-oxochromene-2-carboxylic acid

7-cyano-4-oxochromene-2-carboxylic acid (PubChem CID 151758187) has the molecular formula C11H5NO4 and a molecular weight of 215.16 g/mol. Its IUPAC name is 7-cyano-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name7-cyano-4-oxochromene-2-carboxylic acid
PubChem CID151758187
Molecular FormulaC11H5NO4
Molecular Weight215.16 g/mol
Exact Mass215.02
IUPAC Name7-cyano-4-oxochromene-2-carboxylic acid
SMILESN#Cc1ccc2c(=O)cc(C(=O)O)oc2c1
InChIInChI=1S/C11H5NO4/c12-5-6-1-2-7-8(13)4-10(11(14)15)16-9(7)3-6/h1-4H,(H,14,15)
InChIKeyRPZISFXKCBHXAI-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 7-cyano-4-oxochromene-2-carboxylic acid?
The IUPAC name of 7-cyano-4-oxochromene-2-carboxylic acid (CID 151758187) is 7-cyano-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 7-cyano-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 7-cyano-4-oxochromene-2-carboxylic acid is N#Cc1ccc2c(=O)cc(C(=O)O)oc2c1.
What is the InChIKey of 7-cyano-4-oxochromene-2-carboxylic acid?
The InChIKey is RPZISFXKCBHXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5NO4/c12-5-6-1-2-7-8(13)4-10(11(14)15)16-9(7)3-6/h1-4H,(H,14,15).
What are the key properties of 7-cyano-4-oxochromene-2-carboxylic acid?
7-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 7-cyano-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 151758187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).