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

C13H15NO2 — CID 86575891

IUPAC3-methyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C13H15NO2/c1-10-9-12(15)14(13(10)16)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyUBZXKPRYHFHJRA-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.62
Rot. Bonds3

About 3-methyl-1-(2-phenylethyl)pyrrolidine-2,5-dione

3-methyl-1-(2-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 86575891) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
PubChem CID86575891
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-methyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C13H15NO2/c1-10-9-12(15)14(13(10)16)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyUBZXKPRYHFHJRA-UHFFFAOYSA-N
XLogP1.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.62
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 3-methyl-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-(2-phenylethyl)pyrrolidine-2,5-dione (CID 86575891) is 3-methyl-1-(2-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-(2-phenylethyl)pyrrolidine-2,5-dione is CC1CC(=O)N(CCc2ccccc2)C1=O.
What is the InChIKey of 3-methyl-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is UBZXKPRYHFHJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10-9-12(15)14(13(10)16)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3.
What are the key properties of 3-methyl-1-(2-phenylethyl)pyrrolidine-2,5-dione?
3-methyl-1-(2-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 217.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 86575891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).