1-(3-phenylpropyl)pyrrole-2,5-dione

C13H13NO2 — CID 576189

IUPAC1-(3-phenylpropyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCc1ccccc1
InChIInChI=1S/C13H13NO2/c15-12-8-9-13(16)14(12)10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2
InChIKeyHYGJCMOQZIOUMR-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.54
Rot. Bonds4

About 1-(3-phenylpropyl)pyrrole-2,5-dione

1-(3-phenylpropyl)pyrrole-2,5-dione (PubChem CID 576189) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(3-phenylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-phenylpropyl)pyrrole-2,5-dione
PubChem CID576189
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(3-phenylpropyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCc1ccccc1
InChIInChI=1S/C13H13NO2/c15-12-8-9-13(16)14(12)10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2
InChIKeyHYGJCMOQZIOUMR-UHFFFAOYSA-N
XLogP1.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.54
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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3-(4-Isobutylphenyl)-1-piperidino-2-propen-1-one
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N,N-Diethylcinnamamide
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Piperidine, 1-(1-oxo-3-phenyl-2-propenyl)-
CID 223147
1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one
CID 763255
(E)-3-Phenyl-1-Piperidin-1-Ylprop-2-En-1-One
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1-benzyl-3-bromo-2,5-dihydro-1H-pyrrole-2,5-dione
CID 15628904
1-Benzyl-1,2-dihydropyridin-2-one
CID 244078

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-phenylpropyl)pyrrole-2,5-dione (CID 576189) is 1-(3-phenylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-phenylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-phenylpropyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropyl)pyrrole-2,5-dione?
The InChIKey is HYGJCMOQZIOUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-8-9-13(16)14(12)10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2.
What are the key properties of 1-(3-phenylpropyl)pyrrole-2,5-dione?
1-(3-phenylpropyl)pyrrole-2,5-dione has a molecular weight of 215.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 576189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).