1-benzyl-3-ethylpyrrole-2,5-dione

C13H13NO2 — CID 11550280

IUPAC1-benzyl-3-ethylpyrrole-2,5-dione
SMILESCCC1=CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C13H13NO2/c1-2-11-8-12(15)14(13(11)16)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3
InChIKeyHLTGHSLWTYTESP-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.89
Rot. Bonds3

About 1-benzyl-3-ethylpyrrole-2,5-dione

1-benzyl-3-ethylpyrrole-2,5-dione (PubChem CID 11550280) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-benzyl-3-ethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-ethylpyrrole-2,5-dione
PubChem CID11550280
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-benzyl-3-ethylpyrrole-2,5-dione
SMILESCCC1=CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C13H13NO2/c1-2-11-8-12(15)14(13(11)16)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3
InChIKeyHLTGHSLWTYTESP-UHFFFAOYSA-N
XLogP1.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.89
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

N,N-diethyl-m-toluamide
CID 4284
N,N-Diethylbenzamide
CID 15542
Tebutam
CID 92299
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
2-Methyl-N,N-diethylbenzamide
CID 75945
1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
N,N-Dimethylbenzamide
CID 11916
Benzylmaleimide
CID 74204
1-Benzyl-3-pyrrolidone
CID 79176
Ripa-56
CID 121439991
N,N-Diethyl-p-toluamide
CID 75946

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethylpyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-ethylpyrrole-2,5-dione (CID 11550280) is 1-benzyl-3-ethylpyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-ethylpyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-ethylpyrrole-2,5-dione is CCC1=CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-ethylpyrrole-2,5-dione?
The InChIKey is HLTGHSLWTYTESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-11-8-12(15)14(13(11)16)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3.
What are the key properties of 1-benzyl-3-ethylpyrrole-2,5-dione?
1-benzyl-3-ethylpyrrole-2,5-dione has a molecular weight of 215.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethylpyrrole-2,5-dione is sourced from PubChem (CID 11550280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).