1-ethyl-3-phenylpyrrolidine-2,5-dione

C12H13NO2 — CID 3050331

IUPAC1-ethyl-3-phenylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-2-13-11(14)8-10(12(13)15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyAYABTZPSYFDFGF-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.55
Rot. Bonds2

About 1-ethyl-3-phenylpyrrolidine-2,5-dione

1-ethyl-3-phenylpyrrolidine-2,5-dione (PubChem CID 3050331) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-ethyl-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-phenylpyrrolidine-2,5-dione
PubChem CID3050331
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-ethyl-3-phenylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-2-13-11(14)8-10(12(13)15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyAYABTZPSYFDFGF-UHFFFAOYSA-N
XLogP1.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.55
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

Phensuximide
CID 6839
Methsuximide
CID 6476
Fonturacetam
CID 132441
N,N-Diethyl-2-phenylacetamide
CID 17076
4-Phenyl-2-pyrrolidinone
CID 121397
1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
Fenimide
CID 6068
1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
CID 207584
Spiro-carboxamide scaffold, 13
CID 44143299
2,5-Pyrrolidinedione, 1-(2-phenylethyl)-
CID 95826
Glutarimide, N-ethyl-3-phenyl-
CID 3043002
Acetic acid, 2-(2-phenylsuccinimido)-, ethyl ester
CID 47404

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-phenylpyrrolidine-2,5-dione (CID 3050331) is 1-ethyl-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-phenylpyrrolidine-2,5-dione is CCN1C(=O)CC(c2ccccc2)C1=O.
What is the InChIKey of 1-ethyl-3-phenylpyrrolidine-2,5-dione?
The InChIKey is AYABTZPSYFDFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-13-11(14)8-10(12(13)15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3.
What are the key properties of 1-ethyl-3-phenylpyrrolidine-2,5-dione?
1-ethyl-3-phenylpyrrolidine-2,5-dione has a molecular weight of 203.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 3050331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).