4-hydroxy-1-benzofuran-5-carboxamide

C9H7NO3 — CID 122195904

IUPAC4-hydroxy-1-benzofuran-5-carboxamide
SMILESNC(=O)c1ccc2occc2c1O
InChIInChI=1S/C9H7NO3/c10-9(12)6-1-2-7-5(8(6)11)3-4-13-7/h1-4,11H,(H2,10,12)
InChIKeyOMGYARQQUOIZHK-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.24
Rot. Bonds1

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

4-hydroxy-1-benzofuran-5-carboxamide (PubChem CID 122195904) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-hydroxy-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-benzofuran-5-carboxamide
PubChem CID122195904
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name4-hydroxy-1-benzofuran-5-carboxamide
SMILESNC(=O)c1ccc2occc2c1O
InChIInChI=1S/C9H7NO3/c10-9(12)6-1-2-7-5(8(6)11)3-4-13-7/h1-4,11H,(H2,10,12)
InChIKeyOMGYARQQUOIZHK-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 4-hydroxy-1-benzofuran-5-carboxamide?
The IUPAC name of 4-hydroxy-1-benzofuran-5-carboxamide (CID 122195904) is 4-hydroxy-1-benzofuran-5-carboxamide.
What is the SMILES notation for 4-hydroxy-1-benzofuran-5-carboxamide?
The canonical SMILES for 4-hydroxy-1-benzofuran-5-carboxamide is NC(=O)c1ccc2occc2c1O.
What is the InChIKey of 4-hydroxy-1-benzofuran-5-carboxamide?
The InChIKey is OMGYARQQUOIZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c10-9(12)6-1-2-7-5(8(6)11)3-4-13-7/h1-4,11H,(H2,10,12).
What are the key properties of 4-hydroxy-1-benzofuran-5-carboxamide?
4-hydroxy-1-benzofuran-5-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 4-hydroxy-1-benzofuran-5-carboxamide is sourced from PubChem (CID 122195904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).