2-(3-thiophen-2-ylpropyl)isoindole-1,3-dione

C15H13NO2S — CID 22115202

IUPAC2-(3-thiophen-2-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCc1cccs1
InChIInChI=1S/C15H13NO2S/c17-14-12-7-1-2-8-13(12)15(18)16(14)9-3-5-11-6-4-10-19-11/h1-2,4,6-8,10H,3,5,9H2
InChIKeyUBOZYPRJXQDTKT-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.98
Rot. Bonds4

About 2-(3-thiophen-2-ylpropyl)isoindole-1,3-dione

2-(3-thiophen-2-ylpropyl)isoindole-1,3-dione (PubChem CID 22115202) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(3-thiophen-2-ylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-thiophen-2-ylpropyl)isoindole-1,3-dione
PubChem CID22115202
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name2-(3-thiophen-2-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCc1cccs1
InChIInChI=1S/C15H13NO2S/c17-14-12-7-1-2-8-13(12)15(18)16(14)9-3-5-11-6-4-10-19-11/h1-2,4,6-8,10H,3,5,9H2
InChIKeyUBOZYPRJXQDTKT-UHFFFAOYSA-N
XLogP2.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.98
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 2-(3-thiophen-2-ylpropyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-thiophen-2-ylpropyl)isoindole-1,3-dione (CID 22115202) is 2-(3-thiophen-2-ylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-thiophen-2-ylpropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-thiophen-2-ylpropyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCc1cccs1.
What is the InChIKey of 2-(3-thiophen-2-ylpropyl)isoindole-1,3-dione?
The InChIKey is UBOZYPRJXQDTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c17-14-12-7-1-2-8-13(12)15(18)16(14)9-3-5-11-6-4-10-19-11/h1-2,4,6-8,10H,3,5,9H2.
What are the key properties of 2-(3-thiophen-2-ylpropyl)isoindole-1,3-dione?
2-(3-thiophen-2-ylpropyl)isoindole-1,3-dione has a molecular weight of 271.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-ylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 22115202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).