1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione

C16H15NO4 — CID 65301721

IUPAC1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CC(=O)c2coc3ccccc23)C1=O
InChIInChI=1S/C16H15NO4/c1-16(2)7-14(19)17(15(16)20)8-12(18)11-9-21-13-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3
InChIKeyPWXSDMULTGPUJE-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.40
Rot. Bonds3

About 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione

1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 65301721) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID65301721
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CC(=O)c2coc3ccccc23)C1=O
InChIInChI=1S/C16H15NO4/c1-16(2)7-14(19)17(15(16)20)8-12(18)11-9-21-13-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3
InChIKeyPWXSDMULTGPUJE-UHFFFAOYSA-N
XLogP2.40
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1-benzofuran-3-yl)-2-oxoethyl]azepane-2,7-dione
CID 62024167
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62025100
2-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79872752
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
CID 62025761
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one
CID 80580957
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one
CID 62024555
1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone
CID 62052483
3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312771
3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 65301281
1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025341
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
CID 89242212
CID 89242212

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione (CID 65301721) is 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(CC(=O)c2coc3ccccc23)C1=O.
What is the InChIKey of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is PWXSDMULTGPUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-16(2)7-14(19)17(15(16)20)8-12(18)11-9-21-13-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 285.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 65301721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).