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

C17H16N2O2 — CID 134109848

IUPAC3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1CCc1ccccn1
InChIInChI=1S/C17H16N2O2/c20-16-12-15(13-6-2-1-3-7-13)17(21)19(16)11-9-14-8-4-5-10-18-14/h1-8,10,15H,9,11-12H2
InChIKeyJQRHIFXIFUBBIX-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.17
Rot. Bonds4

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

3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione (PubChem CID 134109848) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
PubChem CID134109848
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1CCc1ccccn1
InChIInChI=1S/C17H16N2O2/c20-16-12-15(13-6-2-1-3-7-13)17(21)19(16)11-9-14-8-4-5-10-18-14/h1-8,10,15H,9,11-12H2
InChIKeyJQRHIFXIFUBBIX-UHFFFAOYSA-N
XLogP2.17
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
(3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
CID 9232425
(3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 98101275
1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione
CID 43636248
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione
CID 115319957
3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
CID 102582008
3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione
CID 63622899
(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid
CID 95282069
2-[(3R)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetic acid
CID 125170964
(4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97135359
3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione
CID 60976711
1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
CID 81134502

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione (CID 134109848) is 3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione is O=C1CC(c2ccccc2)C(=O)N1CCc1ccccn1.
What is the InChIKey of 3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione?
The InChIKey is JQRHIFXIFUBBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16-12-15(13-6-2-1-3-7-13)17(21)19(16)11-9-14-8-4-5-10-18-14/h1-8,10,15H,9,11-12H2.
What are the key properties of 3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione?
3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione has a molecular weight of 280.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 134109848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).