1-phenyl-3-phenyliminopyrrolidine-2,5-dione

C16H12N2O2 — CID 57166178

IUPAC1-phenyl-3-phenyliminopyrrolidine-2,5-dione
SMILESO=C1C/C(=N\c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-15-11-14(17-12-7-3-1-4-8-12)16(20)18(15)13-9-5-2-6-10-13/h1-10H,11H2/b17-14+
InChIKeyQHYVFVRWVDKCIK-SAPNQHFASA-N
MW264.28 g/mol
LogP2.72
Rot. Bonds2

About 1-phenyl-3-phenyliminopyrrolidine-2,5-dione

1-phenyl-3-phenyliminopyrrolidine-2,5-dione (PubChem CID 57166178) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-phenyl-3-phenyliminopyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-phenyl-3-phenyliminopyrrolidine-2,5-dione
PubChem CID57166178
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name1-phenyl-3-phenyliminopyrrolidine-2,5-dione
SMILESO=C1C/C(=N\c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-15-11-14(17-12-7-3-1-4-8-12)16(20)18(15)13-9-5-2-6-10-13/h1-10H,11H2/b17-14+
InChIKeyQHYVFVRWVDKCIK-SAPNQHFASA-N
XLogP2.72
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922
3-methylidene-1-phenylpyrrolidine-2,5-dione
CID 13108227
ethyl 2,5-dioxo-3-phenyliminopyrrolidine-1-carboxylate
CID 57177194
[(E,3E)-3-(2,5-dioxo-1-phenylpyrrolidin-3-ylidene)prop-1-enyl]-dimethylazanium
CID 2166888
1-N,3-N,2-triphenylisoindole-1,3-diimine
CID 10785572
2,6-dioxo-1,4-diphenyl-3H-pyridine-5-carbonitrile
CID 20617881
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 20607089
4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one
CID 59888190
3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one
CID 132560313
1-phenyl-5H-1-benzazepine-2,4-dione
CID 67618146
1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione
CID 131861871
1,4-diphenylpiperidine-2,6-dione
CID 2812798

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-phenyliminopyrrolidine-2,5-dione?
The IUPAC name of 1-phenyl-3-phenyliminopyrrolidine-2,5-dione (CID 57166178) is 1-phenyl-3-phenyliminopyrrolidine-2,5-dione.
What is the SMILES notation for 1-phenyl-3-phenyliminopyrrolidine-2,5-dione?
The canonical SMILES for 1-phenyl-3-phenyliminopyrrolidine-2,5-dione is O=C1C/C(=N\c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 1-phenyl-3-phenyliminopyrrolidine-2,5-dione?
The InChIKey is QHYVFVRWVDKCIK-SAPNQHFASA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15-11-14(17-12-7-3-1-4-8-12)16(20)18(15)13-9-5-2-6-10-13/h1-10H,11H2/b17-14+.
What are the key properties of 1-phenyl-3-phenyliminopyrrolidine-2,5-dione?
1-phenyl-3-phenyliminopyrrolidine-2,5-dione has a molecular weight of 264.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-phenyliminopyrrolidine-2,5-dione is sourced from PubChem (CID 57166178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).