1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione

C12H13NO3 — CID 105473651

IUPAC1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione
SMILESCCN1C(=O)CC(=O)C1c1ccc(O)cc1
InChIInChI=1S/C12H13NO3/c1-2-13-11(16)7-10(15)12(13)8-3-5-9(14)6-4-8/h3-6,12,14H,2,7H2,1H3
InChIKeyCWIHVBVCHZSKOF-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.25
Rot. Bonds2

About 1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione

1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione (PubChem CID 105473651) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione
PubChem CID105473651
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione
SMILESCCN1C(=O)CC(=O)C1c1ccc(O)cc1
InChIInChI=1S/C12H13NO3/c1-2-13-11(16)7-10(15)12(13)8-3-5-9(14)6-4-8/h3-6,12,14H,2,7H2,1H3
InChIKeyCWIHVBVCHZSKOF-UHFFFAOYSA-N
XLogP1.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-[5-(4-hydroxyphenyl)pentanoyl]pyrrolidin-1-yl]-3,3-dimethylpentane-1,2-dione
CID 10407013
5-[(4-Hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione
CID 146037143
Rigidiusculamide B
CID 44614135
3-Ethyl-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 71396710
(4E,5R)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
CID 46233561
(9Z,12Z)-N-[1-(4-hydroxyphenyl)ethyl]octadeca-9,12-dienamide
CID 162644519
Epicoccarine A
CID 54697323
(Acetylamino)(4-hydroxyphenyl)acetic acid
CID 10632200
US9115083, KCnh-2
CID 118986788
5-(4-Hydroxyphenyl)pyrrolidin-2-one
CID 11116595
(4-Hydroxyphenyl)(pyrrolidin-1-yl)methanone
CID 17363033
2-((2,2-Dimethylpropanoyl)amino)-2-(4-hydroxyphenyl)acetic acid, (2R)-
CID 71587634

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione?
The IUPAC name of 1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione (CID 105473651) is 1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione is CCN1C(=O)CC(=O)C1c1ccc(O)cc1.
What is the InChIKey of 1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione?
The InChIKey is CWIHVBVCHZSKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-13-11(16)7-10(15)12(13)8-3-5-9(14)6-4-8/h3-6,12,14H,2,7H2,1H3.
What are the key properties of 1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione?
1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione has a molecular weight of 219.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 105473651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).