2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide

C10H9NO4 — CID 60772542

IUPAC2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
SMILESNC(=O)COc1ccc2c(c1)OCC2=O
InChIInChI=1S/C10H9NO4/c11-10(13)5-14-6-1-2-7-8(12)4-15-9(7)3-6/h1-3H,4-5H2,(H2,11,13)
InChIKeyPQJWFMBODDCAFA-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.13
Rot. Bonds3

About 2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide

2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide (PubChem CID 60772542) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide.

Molecular Properties

Compound Name2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
PubChem CID60772542
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
SMILESNC(=O)COc1ccc2c(c1)OCC2=O
InChIInChI=1S/C10H9NO4/c11-10(13)5-14-6-1-2-7-8(12)4-15-9(7)3-6/h1-3H,4-5H2,(H2,11,13)
InChIKeyPQJWFMBODDCAFA-UHFFFAOYSA-N
XLogP0.13
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide
CID 60772248
6-(3-methyl-2-oxobutoxy)-1-benzofuran-3-one
CID 79395503
6-(2-oxopentoxy)-1-benzofuran-3-one
CID 62042964
3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoic acid
CID 16776711
2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide
CID 63095013
ethyl 3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoate
CID 43516984
6-(5-oxohexoxy)-1-benzofuran-3-one
CID 62033271
6-methoxy-1-benzofuran-3-one
CID 585368
6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one
CID 82507298
6-(3,3-dimethylbutoxy)-1-benzofuran-3-one
CID 55025234
6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one
CID 66474358
N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63094835

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide?
The IUPAC name of 2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide (CID 60772542) is 2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide.
What is the SMILES notation for 2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide?
The canonical SMILES for 2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide is NC(=O)COc1ccc2c(c1)OCC2=O.
What is the InChIKey of 2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide?
The InChIKey is PQJWFMBODDCAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c11-10(13)5-14-6-1-2-7-8(12)4-15-9(7)3-6/h1-3H,4-5H2,(H2,11,13).
What are the key properties of 2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide?
2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide has a molecular weight of 207.19 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide is sourced from PubChem (CID 60772542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).