1-(1-phenylethyl)pyrrolidine-2,5-dione

C12H13NO2 — CID 13032947

IUPAC1-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCC(c1ccccc1)N1C(=O)CCC1=O
InChIInChI=1S/C12H13NO2/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(13)15/h2-6,9H,7-8H2,1H3
InChIKeyYTUMRJVSFMABFS-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.90
Rot. Bonds2

About 1-(1-phenylethyl)pyrrolidine-2,5-dione

1-(1-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 13032947) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(1-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-phenylethyl)pyrrolidine-2,5-dione
PubChem CID13032947
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCC(c1ccccc1)N1C(=O)CCC1=O
InChIInChI=1S/C12H13NO2/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(13)15/h2-6,9H,7-8H2,1H3
InChIKeyYTUMRJVSFMABFS-UHFFFAOYSA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.90
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-(1-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1-phenylethyl)pyrrolidine-2,5-dione (CID 13032947) is 1-(1-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-phenylethyl)pyrrolidine-2,5-dione is CC(c1ccccc1)N1C(=O)CCC1=O.
What is the InChIKey of 1-(1-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is YTUMRJVSFMABFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(13)15/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-(1-phenylethyl)pyrrolidine-2,5-dione?
1-(1-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 203.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 13032947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).