3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione

C16H15NO3 — CID 3151045

IUPAC3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccccc2)C(=O)N1Cc1ccco1
InChIInChI=1S/C16H15NO3/c18-15-10-13(9-12-5-2-1-3-6-12)16(19)17(15)11-14-7-4-8-20-14/h1-8,13H,9-11H2
InChIKeyPZFYCYIQMGPHPA-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.40
Rot. Bonds4

About 3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione

3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 3151045) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione
PubChem CID3151045
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccccc2)C(=O)N1Cc1ccco1
InChIInChI=1S/C16H15NO3/c18-15-10-13(9-12-5-2-1-3-6-12)16(19)17(15)11-14-7-4-8-20-14/h1-8,13H,9-11H2
InChIKeyPZFYCYIQMGPHPA-UHFFFAOYSA-N
XLogP2.40
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.40
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 3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione (CID 3151045) is 3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione is O=C1CC(Cc2ccccc2)C(=O)N1Cc1ccco1.
What is the InChIKey of 3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is PZFYCYIQMGPHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15-10-13(9-12-5-2-1-3-6-12)16(19)17(15)11-14-7-4-8-20-14/h1-8,13H,9-11H2.
What are the key properties of 3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione?
3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 269.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3151045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).