1-benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione

C15H17NO3 — CID 3128935

IUPAC1-benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(C2CCCO2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H17NO3/c17-14-9-12(13-7-4-8-19-13)15(18)16(14)10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2
InChIKeyNCQDYRZPXZGQQT-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.74
Rot. Bonds3

About 1-benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione

1-benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione (PubChem CID 3128935) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione
PubChem CID3128935
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name1-benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(C2CCCO2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H17NO3/c17-14-9-12(13-7-4-8-19-13)15(18)16(14)10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2
InChIKeyNCQDYRZPXZGQQT-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.74
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 1-benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione (CID 3128935) is 1-benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione is O=C1CC(C2CCCO2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is NCQDYRZPXZGQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14-9-12(13-7-4-8-19-13)15(18)16(14)10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2.
What are the key properties of 1-benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione?
1-benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 259.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3128935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).