7-(dimethylamino)-5-hydroxy-4-oxochromene-2-carboxylic acid

C12H11NO5 — CID 118727361

IUPAC7-(dimethylamino)-5-hydroxy-4-oxochromene-2-carboxylic acid
SMILESCN(C)c1cc(O)c2c(=O)cc(C(=O)O)oc2c1
InChIInChI=1S/C12H11NO5/c1-13(2)6-3-7(14)11-8(15)5-10(12(16)17)18-9(11)4-6/h3-5,14H,1-2H3,(H,16,17)
InChIKeyQJAVDJFMAVOMMY-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.26
Rot. Bonds2

About 7-(dimethylamino)-5-hydroxy-4-oxochromene-2-carboxylic acid

7-(dimethylamino)-5-hydroxy-4-oxochromene-2-carboxylic acid (PubChem CID 118727361) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 7-(dimethylamino)-5-hydroxy-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name7-(dimethylamino)-5-hydroxy-4-oxochromene-2-carboxylic acid
PubChem CID118727361
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name7-(dimethylamino)-5-hydroxy-4-oxochromene-2-carboxylic acid
SMILESCN(C)c1cc(O)c2c(=O)cc(C(=O)O)oc2c1
InChIInChI=1S/C12H11NO5/c1-13(2)6-3-7(14)11-8(15)5-10(12(16)17)18-9(11)4-6/h3-5,14H,1-2H3,(H,16,17)
InChIKeyQJAVDJFMAVOMMY-UHFFFAOYSA-N
XLogP1.26
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-5-hydroxy-4-oxochromene-2-carboxylic acid?
The IUPAC name of 7-(dimethylamino)-5-hydroxy-4-oxochromene-2-carboxylic acid (CID 118727361) is 7-(dimethylamino)-5-hydroxy-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 7-(dimethylamino)-5-hydroxy-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 7-(dimethylamino)-5-hydroxy-4-oxochromene-2-carboxylic acid is CN(C)c1cc(O)c2c(=O)cc(C(=O)O)oc2c1.
What is the InChIKey of 7-(dimethylamino)-5-hydroxy-4-oxochromene-2-carboxylic acid?
The InChIKey is QJAVDJFMAVOMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-13(2)6-3-7(14)11-8(15)5-10(12(16)17)18-9(11)4-6/h3-5,14H,1-2H3,(H,16,17).
What are the key properties of 7-(dimethylamino)-5-hydroxy-4-oxochromene-2-carboxylic acid?
7-(dimethylamino)-5-hydroxy-4-oxochromene-2-carboxylic acid has a molecular weight of 249.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-5-hydroxy-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 118727361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).