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

C15H13NO4 — CID 62025100

IUPAC1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC(=O)c2coc3ccccc23)C1=O
InChIInChI=1S/C15H13NO4/c1-9-6-14(18)16(15(9)19)7-12(17)11-8-20-13-5-3-2-4-10(11)13/h2-5,8-9H,6-7H2,1H3
InChIKeyZKZKONVISTXIOW-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.01
Rot. Bonds3

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

1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 62025100) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
PubChem CID62025100
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC(=O)c2coc3ccccc23)C1=O
InChIInChI=1S/C15H13NO4/c1-9-6-14(18)16(15(9)19)7-12(17)11-8-20-13-5-3-2-4-10(11)13/h2-5,8-9H,6-7H2,1H3
InChIKeyZKZKONVISTXIOW-UHFFFAOYSA-N
XLogP2.01
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione (CID 62025100) is 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CC(=O)c2coc3ccccc23)C1=O.
What is the InChIKey of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is ZKZKONVISTXIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-9-6-14(18)16(15(9)19)7-12(17)11-8-20-13-5-3-2-4-10(11)13/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 271.27 g/mol, XLogP of 2.01, 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-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 62025100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).