1-phenylpyrrole-2,5-dione

C10H7NO2 — CID 13662

IUPAC1-phenylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccccc1
InChIInChI=1S/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H
InChIKeyHIDBROSJWZYGSZ-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.12
Rot. Bonds1

About 1-phenylpyrrole-2,5-dione

1-phenylpyrrole-2,5-dione (PubChem CID 13662) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-phenylpyrrole-2,5-dione
PubChem CID13662
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name1-phenylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccccc1
InChIInChI=1S/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H
InChIKeyHIDBROSJWZYGSZ-UHFFFAOYSA-N
XLogP1.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Antipyrine
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Pirfenidone
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Butylacetanilide
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N,N'-1,3-Phenylenedimaleimide
CID 18156
Succinanil
CID 66519
N-(4-Methylphenyl)maleimide
CID 15399
Fluoroimide
CID 93228
N,N-Diphenylacetamide
CID 10615
N-Ethyl-N-phenylacetamide
CID 10727
N-Methylacetanilide
CID 11364
1,4-Phenylenebismaleimide
CID 76765

Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrrole-2,5-dione?
The IUPAC name of 1-phenylpyrrole-2,5-dione (CID 13662) is 1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-phenylpyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccccc1.
What is the InChIKey of 1-phenylpyrrole-2,5-dione?
The InChIKey is HIDBROSJWZYGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 1-phenylpyrrole-2,5-dione?
1-phenylpyrrole-2,5-dione has a molecular weight of 173.17 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 13662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).