1-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione

C9H9NO2S — CID 2808246

IUPAC1-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione
SMILESCc1cscc1N1C(=O)CCC1=O
InChIInChI=1S/C9H9NO2S/c1-6-4-13-5-7(6)10-8(11)2-3-9(10)12/h4-5H,2-3H2,1H3
InChIKeyQJTDUGMHQSROLN-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.71
Rot. Bonds1

About 1-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione

1-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione (PubChem CID 2808246) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione
PubChem CID2808246
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name1-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione
SMILESCc1cscc1N1C(=O)CCC1=O
InChIInChI=1S/C9H9NO2S/c1-6-4-13-5-7(6)10-8(11)2-3-9(10)12/h4-5H,2-3H2,1H3
InChIKeyQJTDUGMHQSROLN-UHFFFAOYSA-N
XLogP1.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione (CID 2808246) is 1-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione is Cc1cscc1N1C(=O)CCC1=O.
What is the InChIKey of 1-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione?
The InChIKey is QJTDUGMHQSROLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-6-4-13-5-7(6)10-8(11)2-3-9(10)12/h4-5H,2-3H2,1H3.
What are the key properties of 1-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione?
1-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione has a molecular weight of 195.24 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2808246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).