1-hexyl-3,4-diphenylpyrrolidine-2,5-dione

C22H25NO2 — CID 58821955

IUPAC1-hexyl-3,4-diphenylpyrrolidine-2,5-dione
SMILESCCCCCCN1C(=O)C(c2ccccc2)C(c2ccccc2)C1=O
InChIInChI=1S/C22H25NO2/c1-2-3-4-11-16-23-21(24)19(17-12-7-5-8-13-17)20(22(23)25)18-14-9-6-10-15-18/h5-10,12-15,19-20H,2-4,11,16H2,1H3
InChIKeyDFAWEGPSRORZDD-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.50
Rot. Bonds7

About 1-hexyl-3,4-diphenylpyrrolidine-2,5-dione

1-hexyl-3,4-diphenylpyrrolidine-2,5-dione (PubChem CID 58821955) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-hexyl-3,4-diphenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hexyl-3,4-diphenylpyrrolidine-2,5-dione
PubChem CID58821955
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name1-hexyl-3,4-diphenylpyrrolidine-2,5-dione
SMILESCCCCCCN1C(=O)C(c2ccccc2)C(c2ccccc2)C1=O
InChIInChI=1S/C22H25NO2/c1-2-3-4-11-16-23-21(24)19(17-12-7-5-8-13-17)20(22(23)25)18-14-9-6-10-15-18/h5-10,12-15,19-20H,2-4,11,16H2,1H3
InChIKeyDFAWEGPSRORZDD-UHFFFAOYSA-N
XLogP4.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-diphenyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 102100803
(3aS,11bR)-2-butyl-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione
CID 7832380
(3aS,11bS)-2-butyl-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione
CID 7832379
1-hexadecyl-3,4-dimethylpyrrolidine-2,5-dione
CID 58800399
(3R,4R)-3,4-dihydroxy-1-octylpyrrolidine-2,5-dione
CID 14669715
1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione
CID 177410052
1-nonadecyl-3-pentyl-2-phenyl-2H-imidazole
CID 69388313
2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole
CID 69390233
1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388930
1-dodecyl-3-pentyl-2-phenyl-2H-imidazole
CID 69395234
1-nonadecyl-2-phenyl-3-undecyl-2H-imidazole
CID 69392101
1-dodecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388228

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3,4-diphenylpyrrolidine-2,5-dione?
The IUPAC name of 1-hexyl-3,4-diphenylpyrrolidine-2,5-dione (CID 58821955) is 1-hexyl-3,4-diphenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-hexyl-3,4-diphenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-hexyl-3,4-diphenylpyrrolidine-2,5-dione is CCCCCCN1C(=O)C(c2ccccc2)C(c2ccccc2)C1=O.
What is the InChIKey of 1-hexyl-3,4-diphenylpyrrolidine-2,5-dione?
The InChIKey is DFAWEGPSRORZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-2-3-4-11-16-23-21(24)19(17-12-7-5-8-13-17)20(22(23)25)18-14-9-6-10-15-18/h5-10,12-15,19-20H,2-4,11,16H2,1H3.
What are the key properties of 1-hexyl-3,4-diphenylpyrrolidine-2,5-dione?
1-hexyl-3,4-diphenylpyrrolidine-2,5-dione has a molecular weight of 335.45 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3,4-diphenylpyrrolidine-2,5-dione is sourced from PubChem (CID 58821955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).