3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione

C14H12N2O4 — CID 161444852

IUPAC3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1.O=C1CC(c2ccccc2)C(=O)N1
InChIInChI=1S/C10H9NO2.C4H3NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7;6-3-1-2-4(7)5-3/h1-5,8H,6H2,(H,11,12,13);1-2H,(H,5,6,7)
InChIKeyVZTJMYRMYSJSDM-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.02
Rot. Bonds1

About 3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione

3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione (PubChem CID 161444852) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione.

Molecular Properties

Compound Name3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione
PubChem CID161444852
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1.O=C1CC(c2ccccc2)C(=O)N1
InChIInChI=1S/C10H9NO2.C4H3NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7;6-3-1-2-4(7)5-3/h1-5,8H,6H2,(H,11,12,13);1-2H,(H,5,6,7)
InChIKeyVZTJMYRMYSJSDM-UHFFFAOYSA-N
XLogP0.02
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
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CID 102081693
3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione
CID 3071135
4-phenyl-3-propan-2-ylpiperidine-2,6-dione
CID 79321338
3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione
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(7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559090
(3S,7R,9Z,12R)-3,7,12-triphenyl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71759600
(4S)-4-phenyl-3,4-dihydro-1H-benzo[g]quinoline-2,5,10-trione
CID 154720448
3-(2,3,4,5,6-pentadeuteriophenyl)pyrrolidine-2,5-dione
CID 154731471
(4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 872442
4,5-diphenyl-3,4-dihydro-1H-quinolin-2-one
CID 66827790
4-phenyl-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione
CID 162671482

Frequently Asked Questions

What is the IUPAC name of 3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione?
The IUPAC name of 3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione (CID 161444852) is 3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione.
What is the SMILES notation for 3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione?
The canonical SMILES for 3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione is O=C1C=CC(=O)N1.O=C1CC(c2ccccc2)C(=O)N1.
What is the InChIKey of 3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione?
The InChIKey is VZTJMYRMYSJSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.C4H3NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7;6-3-1-2-4(7)5-3/h1-5,8H,6H2,(H,11,12,13);1-2H,(H,5,6,7).
What are the key properties of 3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione?
3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione has a molecular weight of 272.26 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione is sourced from PubChem (CID 161444852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).