4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide

C13H7NO6 — CID 102329972

IUPAC4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide
SMILESNC(=O)c1c(O)c2c(=O)oc3ccccc3c2oc1=O
InChIInChI=1S/C13H7NO6/c14-11(16)8-9(15)7-10(20-13(8)18)5-3-1-2-4-6(5)19-12(7)17/h1-4,15H,(H2,14,16)
InChIKeyCHLXCBAUAHHLRN-UHFFFAOYSA-N
MW273.20 g/mol
LogP0.70
Rot. Bonds1

About 4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide

4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide (PubChem CID 102329972) has the molecular formula C13H7NO6 and a molecular weight of 273.20 g/mol. Its IUPAC name is 4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide
PubChem CID102329972
Molecular FormulaC13H7NO6
Molecular Weight273.20 g/mol
Exact Mass273.03
IUPAC Name4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide
SMILESNC(=O)c1c(O)c2c(=O)oc3ccccc3c2oc1=O
InChIInChI=1S/C13H7NO6/c14-11(16)8-9(15)7-10(20-13(8)18)5-3-1-2-4-6(5)19-12(7)17/h1-4,15H,(H2,14,16)
InChIKeyCHLXCBAUAHHLRN-UHFFFAOYSA-N
XLogP0.70
TPSA123.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide?
The IUPAC name of 4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide (CID 102329972) is 4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide?
The canonical SMILES for 4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide is NC(=O)c1c(O)c2c(=O)oc3ccccc3c2oc1=O.
What is the InChIKey of 4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide?
The InChIKey is CHLXCBAUAHHLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NO6/c14-11(16)8-9(15)7-10(20-13(8)18)5-3-1-2-4-6(5)19-12(7)17/h1-4,15H,(H2,14,16).
What are the key properties of 4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide?
4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide has a molecular weight of 273.20 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide is sourced from PubChem (CID 102329972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).