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

C9H7NO3 — CID 3020374

IUPAC1-oxo-3H-2-benzofuran-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)COC2=O
InChIInChI=1S/C9H7NO3/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2,(H2,10,11)
InChIKeyVOWKISVRIBSFMO-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.46
Rot. Bonds1

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

1-oxo-3H-2-benzofuran-5-carboxamide (PubChem CID 3020374) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1-oxo-3H-2-benzofuran-5-carboxamide.

Molecular Properties

Compound Name1-oxo-3H-2-benzofuran-5-carboxamide
PubChem CID3020374
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name1-oxo-3H-2-benzofuran-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)COC2=O
InChIInChI=1S/C9H7NO3/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2,(H2,10,11)
InChIKeyVOWKISVRIBSFMO-UHFFFAOYSA-N
XLogP0.46
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-3H-2-benzofuran-5-carboxamide?
The IUPAC name of 1-oxo-3H-2-benzofuran-5-carboxamide (CID 3020374) is 1-oxo-3H-2-benzofuran-5-carboxamide.
What is the SMILES notation for 1-oxo-3H-2-benzofuran-5-carboxamide?
The canonical SMILES for 1-oxo-3H-2-benzofuran-5-carboxamide is NC(=O)c1ccc2c(c1)COC2=O.
What is the InChIKey of 1-oxo-3H-2-benzofuran-5-carboxamide?
The InChIKey is VOWKISVRIBSFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2,(H2,10,11).
What are the key properties of 1-oxo-3H-2-benzofuran-5-carboxamide?
1-oxo-3H-2-benzofuran-5-carboxamide has a molecular weight of 177.16 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-3H-2-benzofuran-5-carboxamide is sourced from PubChem (CID 3020374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).