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

C13H9NO3S — CID 10706403

IUPAC2-(thiophen-2-ylmethoxy)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1cccs1
InChIInChI=1S/C13H9NO3S/c15-12-10-5-1-2-6-11(10)13(16)14(12)17-8-9-4-3-7-18-9/h1-7H,8H2
InChIKeySIVLKUKUNCKWMF-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.48
Rot. Bonds3

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

2-(thiophen-2-ylmethoxy)isoindole-1,3-dione (PubChem CID 10706403) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(thiophen-2-ylmethoxy)isoindole-1,3-dione
PubChem CID10706403
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Name2-(thiophen-2-ylmethoxy)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1cccs1
InChIInChI=1S/C13H9NO3S/c15-12-10-5-1-2-6-11(10)13(16)14(12)17-8-9-4-3-7-18-9/h1-7H,8H2
InChIKeySIVLKUKUNCKWMF-UHFFFAOYSA-N
XLogP2.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.48
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 2-(thiophen-2-ylmethoxy)isoindole-1,3-dione?
The IUPAC name of 2-(thiophen-2-ylmethoxy)isoindole-1,3-dione (CID 10706403) is 2-(thiophen-2-ylmethoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(thiophen-2-ylmethoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(thiophen-2-ylmethoxy)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OCc1cccs1.
What is the InChIKey of 2-(thiophen-2-ylmethoxy)isoindole-1,3-dione?
The InChIKey is SIVLKUKUNCKWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c15-12-10-5-1-2-6-11(10)13(16)14(12)17-8-9-4-3-7-18-9/h1-7H,8H2.
What are the key properties of 2-(thiophen-2-ylmethoxy)isoindole-1,3-dione?
2-(thiophen-2-ylmethoxy)isoindole-1,3-dione has a molecular weight of 259.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethoxy)isoindole-1,3-dione is sourced from PubChem (CID 10706403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).