1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide

C9H7NO4 — CID 163933343

IUPAC1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)OC2O
InChIInChI=1S/C9H7NO4/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3,8,12H,(H2,10,11)
InChIKeyRKPBOEDRBQGKLW-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.05
Rot. Bonds1

About 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide

1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide (PubChem CID 163933343) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide.

Molecular Properties

Compound Name1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide
PubChem CID163933343
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)OC2O
InChIInChI=1S/C9H7NO4/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3,8,12H,(H2,10,11)
InChIKeyRKPBOEDRBQGKLW-UHFFFAOYSA-N
XLogP-0.05
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide?
The IUPAC name of 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide (CID 163933343) is 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide.
What is the SMILES notation for 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide?
The canonical SMILES for 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide is NC(=O)c1ccc2c(c1)C(=O)OC2O.
What is the InChIKey of 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide?
The InChIKey is RKPBOEDRBQGKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3,8,12H,(H2,10,11).
What are the key properties of 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide?
1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide has a molecular weight of 193.16 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxamide is sourced from PubChem (CID 163933343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).