2-(furan-2-ylmethyl)isoindole-1,3-dione

C13H9NO3 — CID 758210

IUPAC2-(furan-2-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccco1
InChIInChI=1S/C13H9NO3/c15-12-10-5-1-2-6-11(10)13(16)14(12)8-9-4-3-7-17-9/h1-7H,8H2
InChIKeyHEASRFXNBZVYOV-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.08
Rot. Bonds2

About 2-(furan-2-ylmethyl)isoindole-1,3-dione

2-(furan-2-ylmethyl)isoindole-1,3-dione (PubChem CID 758210) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)isoindole-1,3-dione
PubChem CID758210
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name2-(furan-2-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccco1
InChIInChI=1S/C13H9NO3/c15-12-10-5-1-2-6-11(10)13(16)14(12)8-9-4-3-7-17-9/h1-7H,8H2
InChIKeyHEASRFXNBZVYOV-UHFFFAOYSA-N
XLogP2.08
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.08
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-(furan-2-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(furan-2-ylmethyl)isoindole-1,3-dione (CID 758210) is 2-(furan-2-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(furan-2-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(furan-2-ylmethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)isoindole-1,3-dione?
The InChIKey is HEASRFXNBZVYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-12-10-5-1-2-6-11(10)13(16)14(12)8-9-4-3-7-17-9/h1-7H,8H2.
What are the key properties of 2-(furan-2-ylmethyl)isoindole-1,3-dione?
2-(furan-2-ylmethyl)isoindole-1,3-dione has a molecular weight of 227.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 758210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).