3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione

C16H20N2O2 — CID 63622899

IUPAC3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1CCC1CCNC1
InChIInChI=1S/C16H20N2O2/c19-15-10-14(13-4-2-1-3-5-13)16(20)18(15)9-7-12-6-8-17-11-12/h1-5,12,14,17H,6-11H2
InChIKeySXBYLHSSOZMSLG-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.53
Rot. Bonds4

About 3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione

3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione (PubChem CID 63622899) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione
PubChem CID63622899
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1CCC1CCNC1
InChIInChI=1S/C16H20N2O2/c19-15-10-14(13-4-2-1-3-5-13)16(20)18(15)9-7-12-6-8-17-11-12/h1-5,12,14,17H,6-11H2
InChIKeySXBYLHSSOZMSLG-UHFFFAOYSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61349210
3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 134109848
1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione
CID 106146031
(6R)-6-phenyl-4-(2-piperidin-4-ylethyl)morpholin-3-one
CID 90272569
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione
CID 115319957
N-phenyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115047411
1-(4-aminocyclohexyl)-3-phenylpyrrolidine-2,5-dione
CID 61209256
5-phenyl-3-propyl-1,3-diazinane-2,4-dione
CID 62884724
1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119535808
4-pyridin-2-yl-1-(2-pyrrolidin-3-ylethyl)imidazolidin-2-one
CID 116980606
1-(2-pyrrolidin-3-ylethyl)imidazolidin-2-one
CID 63624009
1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione
CID 106288752

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione (CID 63622899) is 3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione is O=C1CC(c2ccccc2)C(=O)N1CCC1CCNC1.
What is the InChIKey of 3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione?
The InChIKey is SXBYLHSSOZMSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15-10-14(13-4-2-1-3-5-13)16(20)18(15)9-7-12-6-8-17-11-12/h1-5,12,14,17H,6-11H2.
What are the key properties of 3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione?
3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 63622899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).