1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione

C13H9NO3 — CID 71249269

IUPAC1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Cc1coc2ccccc12
InChIInChI=1S/C13H9NO3/c15-12-5-6-13(16)14(12)7-9-8-17-11-4-2-1-3-10(9)11/h1-6,8H,7H2
InChIKeyDFXHXXLGOXHYRD-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.86
Rot. Bonds2

About 1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione

1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione (PubChem CID 71249269) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione
PubChem CID71249269
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Cc1coc2ccccc12
InChIInChI=1S/C13H9NO3/c15-12-5-6-13(16)14(12)7-9-8-17-11-4-2-1-3-10(9)11/h1-6,8H,7H2
InChIKeyDFXHXXLGOXHYRD-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
1-benzofuran-3-ylmethanesulfonic acid
CID 18415250
2-[4-(1-benzofuran-3-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 80703690
1-(1-benzofuran-3-ylmethyl)imidazol-2-amine
CID 80702895
3-(2-aminoethyl)chromen-4-one
CID 55212083
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556
3-(naphthalen-1-ylmethyl)-1-benzofuran
CID 132539369
1-(1-benzofuran-3-ylmethyl)-4-methylpyrazol-5-amine
CID 80703408
1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid
CID 80702544
S-ethyl 2-(1-benzofuran-3-yl)ethanethioate
CID 91620594
3-(cyclobutylmethyl)-1-benzofuran
CID 145054198
1-benzofuran-3-ylmethyl(triethyl)azanium
CID 177385242

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione (CID 71249269) is 1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1Cc1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione?
The InChIKey is DFXHXXLGOXHYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-12-5-6-13(16)14(12)7-9-8-17-11-4-2-1-3-10(9)11/h1-6,8H,7H2.
What are the key properties of 1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione?
1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione has a molecular weight of 227.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 71249269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).