5-hydroxy-1-benzofuran-4-carboxamide

C9H7NO3 — CID 121227076

IUPAC5-hydroxy-1-benzofuran-4-carboxamide
SMILESNC(=O)c1c(O)ccc2occc12
InChIInChI=1S/C9H7NO3/c10-9(12)8-5-3-4-13-7(5)2-1-6(8)11/h1-4,11H,(H2,10,12)
InChIKeyMULCGLSWFRQDBR-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.24
Rot. Bonds1

About 5-hydroxy-1-benzofuran-4-carboxamide

5-hydroxy-1-benzofuran-4-carboxamide (PubChem CID 121227076) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-hydroxy-1-benzofuran-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-1-benzofuran-4-carboxamide
PubChem CID121227076
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name5-hydroxy-1-benzofuran-4-carboxamide
SMILESNC(=O)c1c(O)ccc2occc12
InChIInChI=1S/C9H7NO3/c10-9(12)8-5-3-4-13-7(5)2-1-6(8)11/h1-4,11H,(H2,10,12)
InChIKeyMULCGLSWFRQDBR-UHFFFAOYSA-N
XLogP1.24
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-benzofuran-4-carboxamide?
The IUPAC name of 5-hydroxy-1-benzofuran-4-carboxamide (CID 121227076) is 5-hydroxy-1-benzofuran-4-carboxamide.
What is the SMILES notation for 5-hydroxy-1-benzofuran-4-carboxamide?
The canonical SMILES for 5-hydroxy-1-benzofuran-4-carboxamide is NC(=O)c1c(O)ccc2occc12.
What is the InChIKey of 5-hydroxy-1-benzofuran-4-carboxamide?
The InChIKey is MULCGLSWFRQDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c10-9(12)8-5-3-4-13-7(5)2-1-6(8)11/h1-4,11H,(H2,10,12).
What are the key properties of 5-hydroxy-1-benzofuran-4-carboxamide?
5-hydroxy-1-benzofuran-4-carboxamide has a molecular weight of 177.16 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-benzofuran-4-carboxamide is sourced from PubChem (CID 121227076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).