1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione

C17H22N2O2 — CID 13220410

IUPAC1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
SMILESCC(Cc1ccccc1)N1C(=O)CC(N2CCCC2)C1=O
InChIInChI=1S/C17H22N2O2/c1-13(11-14-7-3-2-4-8-14)19-16(20)12-15(17(19)21)18-9-5-6-10-18/h2-4,7-8,13,15H,5-6,9-12H2,1H3
InChIKeyQJVSGIBQYOUMLC-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.84
Rot. Bonds4

About 1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione

1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione (PubChem CID 13220410) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
PubChem CID13220410
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
SMILESCC(Cc1ccccc1)N1C(=O)CC(N2CCCC2)C1=O
InChIInChI=1S/C17H22N2O2/c1-13(11-14-7-3-2-4-8-14)19-16(20)12-15(17(19)21)18-9-5-6-10-18/h2-4,7-8,13,15H,5-6,9-12H2,1H3
InChIKeyQJVSGIBQYOUMLC-UHFFFAOYSA-N
XLogP1.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.84
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-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione (CID 13220410) is 1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione is CC(Cc1ccccc1)N1C(=O)CC(N2CCCC2)C1=O.
What is the InChIKey of 1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
The InChIKey is QJVSGIBQYOUMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(11-14-7-3-2-4-8-14)19-16(20)12-15(17(19)21)18-9-5-6-10-18/h2-4,7-8,13,15H,5-6,9-12H2,1H3.
What are the key properties of 1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione?
1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione has a molecular weight of 286.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 13220410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).