1-(4-phenylbenzoyl)pyrrolidine-2,5-dione

C17H13NO3 — CID 170985681

IUPAC1-(4-phenylbenzoyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H13NO3/c19-15-10-11-16(20)18(15)17(21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyHIDSEPGEFIDWBX-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.64
Rot. Bonds2

About 1-(4-phenylbenzoyl)pyrrolidine-2,5-dione

1-(4-phenylbenzoyl)pyrrolidine-2,5-dione (PubChem CID 170985681) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(4-phenylbenzoyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-phenylbenzoyl)pyrrolidine-2,5-dione
PubChem CID170985681
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name1-(4-phenylbenzoyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H13NO3/c19-15-10-11-16(20)18(15)17(21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyHIDSEPGEFIDWBX-UHFFFAOYSA-N
XLogP2.64
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.64
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-(4-fluorobenzoyl)pyrrolidine-2,5-dione
CID 790945
1-(4-phenylbenzoyl)azetidin-3-one
CID 67288829
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
1,4-bis[4-(N-phenylanilino)phenyl]-2,5-bis(4-phenylbenzoyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 167351178
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270
[4-(7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carbonyl)phenyl]-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)methanone
CID 70257091
phenyl-(4-phenylphenyl)methanone
CID 155775877
1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 702388
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485
(2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate
CID 19969059
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbenzoyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-phenylbenzoyl)pyrrolidine-2,5-dione (CID 170985681) is 1-(4-phenylbenzoyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-phenylbenzoyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-phenylbenzoyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylbenzoyl)pyrrolidine-2,5-dione?
The InChIKey is HIDSEPGEFIDWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-15-10-11-16(20)18(15)17(21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 1-(4-phenylbenzoyl)pyrrolidine-2,5-dione?
1-(4-phenylbenzoyl)pyrrolidine-2,5-dione has a molecular weight of 279.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbenzoyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 170985681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).