1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

C15H19N3O4 — CID 7823937

IUPAC1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(CC)c2C)C1=O
InChIInChI=1S/C15H19N3O4/c1-5-16-9(3)7-11(10(16)4)12(19)8-18-14(21)13(20)17(6-2)15(18)22/h7H,5-6,8H2,1-4H3
InChIKeyGFIDUMNCBCDJSF-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.12
Rot. Bonds5

About 1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 7823937) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID7823937
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(CC)c2C)C1=O
InChIInChI=1S/C15H19N3O4/c1-5-16-9(3)7-11(10(16)4)12(19)8-18-14(21)13(20)17(6-2)15(18)22/h7H,5-6,8H2,1-4H3
InChIKeyGFIDUMNCBCDJSF-UHFFFAOYSA-N
XLogP1.12
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7824094
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178976
5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 18775724
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62024381
methyl 4-[2,5-dimethyl-3-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]pyrrol-1-yl]butanoate
CID 7757208
2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 17407870
1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626457
1-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626415
1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7824114
1-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7652333
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 62929086
1-butyl-3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
CID 16560415

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (CID 7823937) is 1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(CC)c2C)C1=O.
What is the InChIKey of 1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is GFIDUMNCBCDJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-5-16-9(3)7-11(10(16)4)12(19)8-18-14(21)13(20)17(6-2)15(18)22/h7H,5-6,8H2,1-4H3.
What are the key properties of 1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 305.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7823937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).