1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-methylpyrazine-2,3-dione

C15H19N3O3 — CID 62929086

IUPAC1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
SMILESCCn1c(C)cc(C(=O)Cn2ccn(C)c(=O)c2=O)c1C
InChIInChI=1S/C15H19N3O3/c1-5-18-10(2)8-12(11(18)3)13(19)9-17-7-6-16(4)14(20)15(17)21/h6-8H,5,9H2,1-4H3
InChIKeyCFADAXBYIOMBTA-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.87
Rot. Bonds4

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

1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-methylpyrazine-2,3-dione (PubChem CID 62929086) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
PubChem CID62929086
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
SMILESCCn1c(C)cc(C(=O)Cn2ccn(C)c(=O)c2=O)c1C
InChIInChI=1S/C15H19N3O3/c1-5-18-10(2)8-12(11(18)3)13(19)9-17-7-6-16(4)14(20)15(17)21/h6-8H,5,9H2,1-4H3
InChIKeyCFADAXBYIOMBTA-UHFFFAOYSA-N
XLogP0.87
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7823937
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178976
2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 43226614
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(N-methylanilino)ethanone
CID 43226577
2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 62923985
4,5-dichloro-2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridazin-3-one
CID 8861978
4-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
CID 9438362
5,5-diethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 18775724
2-[(2-amino-2-oxoethyl)-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide
CID 62921896
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]azepan-2-one
CID 62023902
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62024381
1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7824094

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-methylpyrazine-2,3-dione (CID 62929086) is 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-methylpyrazine-2,3-dione is CCn1c(C)cc(C(=O)Cn2ccn(C)c(=O)c2=O)c1C.
What is the InChIKey of 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-methylpyrazine-2,3-dione?
The InChIKey is CFADAXBYIOMBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-5-18-10(2)8-12(11(18)3)13(19)9-17-7-6-16(4)14(20)15(17)21/h6-8H,5,9H2,1-4H3.
What are the key properties of 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-methylpyrazine-2,3-dione?
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-methylpyrazine-2,3-dione has a molecular weight of 289.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 62929086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).