1-(thiophen-2-ylmethyl)pyrrole-2,5-dione

C9H7NO2S — CID 2732031

IUPAC1-(thiophen-2-ylmethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Cc1cccs1
InChIInChI=1S/C9H7NO2S/c11-8-3-4-9(12)10(8)6-7-2-1-5-13-7/h1-5H,6H2
InChIKeyBCLXYIADRSPQJP-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.17
Rot. Bonds2

About 1-(thiophen-2-ylmethyl)pyrrole-2,5-dione

1-(thiophen-2-ylmethyl)pyrrole-2,5-dione (PubChem CID 2732031) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)pyrrole-2,5-dione
PubChem CID2732031
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name1-(thiophen-2-ylmethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Cc1cccs1
InChIInChI=1S/C9H7NO2S/c11-8-3-4-9(12)10(8)6-7-2-1-5-13-7/h1-5H,6H2
InChIKeyBCLXYIADRSPQJP-UHFFFAOYSA-N
XLogP1.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.17
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-(thiophen-2-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(thiophen-2-ylmethyl)pyrrole-2,5-dione (CID 2732031) is 1-(thiophen-2-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(thiophen-2-ylmethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1Cc1cccs1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)pyrrole-2,5-dione?
The InChIKey is BCLXYIADRSPQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c11-8-3-4-9(12)10(8)6-7-2-1-5-13-7/h1-5H,6H2.
What are the key properties of 1-(thiophen-2-ylmethyl)pyrrole-2,5-dione?
1-(thiophen-2-ylmethyl)pyrrole-2,5-dione has a molecular weight of 193.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 2732031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).