8-amino-7-hydroxy-4-oxochromene-2-carboxamide

C10H8N2O4 — CID 90673441

IUPAC8-amino-7-hydroxy-4-oxochromene-2-carboxamide
SMILESNC(=O)c1cc(=O)c2ccc(O)c(N)c2o1
InChIInChI=1S/C10H8N2O4/c11-8-5(13)2-1-4-6(14)3-7(10(12)15)16-9(4)8/h1-3,13H,11H2,(H2,12,15)
InChIKeyZWASPGFGQIFEEQ-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.18
Rot. Bonds1

About 8-amino-7-hydroxy-4-oxochromene-2-carboxamide

8-amino-7-hydroxy-4-oxochromene-2-carboxamide (PubChem CID 90673441) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 8-amino-7-hydroxy-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name8-amino-7-hydroxy-4-oxochromene-2-carboxamide
PubChem CID90673441
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name8-amino-7-hydroxy-4-oxochromene-2-carboxamide
SMILESNC(=O)c1cc(=O)c2ccc(O)c(N)c2o1
InChIInChI=1S/C10H8N2O4/c11-8-5(13)2-1-4-6(14)3-7(10(12)15)16-9(4)8/h1-3,13H,11H2,(H2,12,15)
InChIKeyZWASPGFGQIFEEQ-UHFFFAOYSA-N
XLogP0.18
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-7-hydroxy-4-oxochromene-2-carboxamide?
The IUPAC name of 8-amino-7-hydroxy-4-oxochromene-2-carboxamide (CID 90673441) is 8-amino-7-hydroxy-4-oxochromene-2-carboxamide.
What is the SMILES notation for 8-amino-7-hydroxy-4-oxochromene-2-carboxamide?
The canonical SMILES for 8-amino-7-hydroxy-4-oxochromene-2-carboxamide is NC(=O)c1cc(=O)c2ccc(O)c(N)c2o1.
What is the InChIKey of 8-amino-7-hydroxy-4-oxochromene-2-carboxamide?
The InChIKey is ZWASPGFGQIFEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c11-8-5(13)2-1-4-6(14)3-7(10(12)15)16-9(4)8/h1-3,13H,11H2,(H2,12,15).
What are the key properties of 8-amino-7-hydroxy-4-oxochromene-2-carboxamide?
8-amino-7-hydroxy-4-oxochromene-2-carboxamide has a molecular weight of 220.18 g/mol, XLogP of 0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-hydroxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 90673441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).