1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione

C11H11NO3S — CID 872403

IUPAC1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione
SMILESCC(=O)c1cc(CN2C(=O)CCC2=O)cs1
InChIInChI=1S/C11H11NO3S/c1-7(13)9-4-8(6-16-9)5-12-10(14)2-3-11(12)15/h4,6H,2-3,5H2,1H3
InChIKeyAKIXTPNCIBVAGM-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.60
Rot. Bonds3

About 1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione

1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 872403) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione
PubChem CID872403
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione
SMILESCC(=O)c1cc(CN2C(=O)CCC2=O)cs1
InChIInChI=1S/C11H11NO3S/c1-7(13)9-4-8(6-16-9)5-12-10(14)2-3-11(12)15/h4,6H,2-3,5H2,1H3
InChIKeyAKIXTPNCIBVAGM-UHFFFAOYSA-N
XLogP1.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.60
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-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione (CID 872403) is 1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione is CC(=O)c1cc(CN2C(=O)CCC2=O)cs1.
What is the InChIKey of 1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is AKIXTPNCIBVAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-7(13)9-4-8(6-16-9)5-12-10(14)2-3-11(12)15/h4,6H,2-3,5H2,1H3.
What are the key properties of 1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione?
1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 237.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 872403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).