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

C13H15NO3S — CID 62023077

IUPAC1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
SMILESCc1cc(C(=O)CN2C(=O)CC(C)C2=O)c(C)s1
InChIInChI=1S/C13H15NO3S/c1-7-4-12(16)14(13(7)17)6-11(15)10-5-8(2)18-9(10)3/h5,7H,4,6H2,1-3H3
InChIKeyYZFWZCCIZJCHEZ-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.94
Rot. Bonds3

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

1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 62023077) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
PubChem CID62023077
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
SMILESCc1cc(C(=O)CN2C(=O)CC(C)C2=O)c(C)s1
InChIInChI=1S/C13H15NO3S/c1-7-4-12(16)14(13(7)17)6-11(15)10-5-8(2)18-9(10)3/h5,7H,4,6H2,1-3H3
InChIKeyYZFWZCCIZJCHEZ-UHFFFAOYSA-N
XLogP1.94
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.94
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-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione (CID 62023077) is 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione is Cc1cc(C(=O)CN2C(=O)CC(C)C2=O)c(C)s1.
What is the InChIKey of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is YZFWZCCIZJCHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-7-4-12(16)14(13(7)17)6-11(15)10-5-8(2)18-9(10)3/h5,7H,4,6H2,1-3H3.
What are the key properties of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 265.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 62023077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).