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

C12H13NO4 — CID 63095013

IUPAC2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide
SMILESCCC(Oc1ccc2c(c1)OCC2=O)C(N)=O
InChIInChI=1S/C12H13NO4/c1-2-10(12(13)15)17-7-3-4-8-9(14)6-16-11(8)5-7/h3-5,10H,2,6H2,1H3,(H2,13,15)
InChIKeyDLGJVJARJCFLKF-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.90
Rot. Bonds4

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

2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide (PubChem CID 63095013) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide.

Molecular Properties

Compound Name2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide
PubChem CID63095013
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide
SMILESCCC(Oc1ccc2c(c1)OCC2=O)C(N)=O
InChIInChI=1S/C12H13NO4/c1-2-10(12(13)15)17-7-3-4-8-9(14)6-16-11(8)5-7/h3-5,10H,2,6H2,1H3,(H2,13,15)
InChIKeyDLGJVJARJCFLKF-UHFFFAOYSA-N
XLogP0.90
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Hydroxy-3-coumaranone
CID 235717
2-benzylidene-4,6-dimethoxy-1-benzofuran-3(2H)-one
CID 642387
4,6-Dimethoxycoumaranone
CID 606619
2-{[3-(2-methoxyphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetamide
CID 890294
2-(8-Benzoyl-4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 904808
(Z)-6-hydroxy-2-(4-methoxybenzylidene)benzofuran-3(2H)-one
CID 732043
2-Propan-2-ylfuro[3,2-g]chromene-3,7-dione
CID 2841563
1-[(2R)-6-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone
CID 10585660
6-Methoxy-2,3-dihydro-1-benzofuran-3-one
CID 585368
(Z)-6-methoxy-2-(2-methylbenzylidene)benzofuran-3(2H)-one
CID 940903
(Z)-2-(furan-2-ylmethylene)-6-methoxybenzofuran-3(2H)-one
CID 2007579
1-(2,4-Diethoxyphenyl)-1,2-propanedione
CID 2200838

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide?
The IUPAC name of 2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide (CID 63095013) is 2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide.
What is the SMILES notation for 2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide?
The canonical SMILES for 2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide is CCC(Oc1ccc2c(c1)OCC2=O)C(N)=O.
What is the InChIKey of 2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide?
The InChIKey is DLGJVJARJCFLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-2-10(12(13)15)17-7-3-4-8-9(14)6-16-11(8)5-7/h3-5,10H,2,6H2,1H3,(H2,13,15).
What are the key properties of 2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide?
2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide has a molecular weight of 235.24 g/mol, XLogP of 0.90, 4 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]butanamide is sourced from PubChem (CID 63095013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).