1-(3-phenylpropyl)pyrrolidine-2,5-dione

C13H15NO2 — CID 54586345

IUPAC1-(3-phenylpropyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCc1ccccc1
InChIInChI=1S/C13H15NO2/c15-12-8-9-13(16)14(12)10-4-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyVVXSOBTYHZROMC-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.77
Rot. Bonds4

About 1-(3-phenylpropyl)pyrrolidine-2,5-dione

1-(3-phenylpropyl)pyrrolidine-2,5-dione (PubChem CID 54586345) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(3-phenylpropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-phenylpropyl)pyrrolidine-2,5-dione
PubChem CID54586345
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(3-phenylpropyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCc1ccccc1
InChIInChI=1S/C13H15NO2/c15-12-8-9-13(16)14(12)10-4-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyVVXSOBTYHZROMC-UHFFFAOYSA-N
XLogP1.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-phenylpropyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-phenylpropyl)pyrrolidine-2,5-dione (CID 54586345) is 1-(3-phenylpropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-phenylpropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-phenylpropyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropyl)pyrrolidine-2,5-dione?
The InChIKey is VVXSOBTYHZROMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-12-8-9-13(16)14(12)10-4-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2.
What are the key properties of 1-(3-phenylpropyl)pyrrolidine-2,5-dione?
1-(3-phenylpropyl)pyrrolidine-2,5-dione has a molecular weight of 217.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 54586345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).