2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid

C10H10O5 — CID 10584550

IUPAC2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid
SMILESO=C1CCC2=C(CC(C(=O)O)CC2=O)O1
InChIInChI=1S/C10H10O5/c11-7-3-5(10(13)14)4-8-6(7)1-2-9(12)15-8/h5H,1-4H2,(H,13,14)
InChIKeyLQOONMZTPYCLIO-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.64
Rot. Bonds1

About 2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid

2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid (PubChem CID 10584550) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid.

Molecular Properties

Compound Name2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid
PubChem CID10584550
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid
SMILESO=C1CCC2=C(CC(C(=O)O)CC2=O)O1
InChIInChI=1S/C10H10O5/c11-7-3-5(10(13)14)4-8-6(7)1-2-9(12)15-8/h5H,1-4H2,(H,13,14)
InChIKeyLQOONMZTPYCLIO-UHFFFAOYSA-N
XLogP0.64
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Oxo-1,2,3,4,5,6,7,8-octahydro-2-naphthalenecarboxylic acid
CID 4166964
4-Nonyl-4,6,7,8-tetrahydro-2H-chromene-2,5(3H)-dione
CID 365018
Octahydroxanthen-1,9-dinone, 10-carboxy-3,3,7,7-tetramethyl-
CID 623708
2,3,4-Trimethyl-5-oxo-2,3,4,6,7,8-hexahydrochromene-7-carboxylic acid
CID 21342003
Ethane;3-methoxy-5-oxo-4-propanoylcyclohex-3-ene-1-carboxylic acid
CID 142034406
3-Methoxy-5-oxo-4-propanoylcyclohex-3-ene-1-carboxylic acid
CID 142034407
1,8-Dioxo-2,3,4,5,6,7-hexahydroxanthene-9-carboxylic acid
CID 4604883
(2R)-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)butanedioate
CID 7370024
(2S)-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)butanedioate
CID 7370026
Ethyl 2,2-bis(2-hydroxy-6-oxocyclohexen-1-yl)acetate
CID 10638505
3,3,6,6,9-Pentamethyl-1,8-dioxo-2,4,5,7-tetrahydroxanthene-9-carboxylic acid
CID 13666323
4-Acetyl-3-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid
CID 14371523

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid?
The IUPAC name of 2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid (CID 10584550) is 2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid.
What is the SMILES notation for 2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid?
The canonical SMILES for 2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid is O=C1CCC2=C(CC(C(=O)O)CC2=O)O1.
What is the InChIKey of 2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid?
The InChIKey is LQOONMZTPYCLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c11-7-3-5(10(13)14)4-8-6(7)1-2-9(12)15-8/h5H,1-4H2,(H,13,14).
What are the key properties of 2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid?
2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid has a molecular weight of 210.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-4,6,7,8-tetrahydro-3H-chromene-7-carboxylic acid is sourced from PubChem (CID 10584550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).