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

C15H20N2O3 — CID 62024381

IUPAC1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
SMILESCCn1c(C)cc(C(=O)CN2C(=O)CC(C)C2=O)c1C
InChIInChI=1S/C15H20N2O3/c1-5-16-10(3)7-12(11(16)4)13(18)8-17-14(19)6-9(2)15(17)20/h7,9H,5-6,8H2,1-4H3
InChIKeyPQYHHOJZJAIJMJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.70
Rot. Bonds4

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

1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 62024381) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
PubChem CID62024381
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
SMILESCCn1c(C)cc(C(=O)CN2C(=O)CC(C)C2=O)c1C
InChIInChI=1S/C15H20N2O3/c1-5-16-10(3)7-12(11(16)4)13(18)8-17-14(19)6-9(2)15(17)20/h7,9H,5-6,8H2,1-4H3
InChIKeyPQYHHOJZJAIJMJ-UHFFFAOYSA-N
XLogP1.70
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178976
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62023077
1-ethyl-3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7823937
2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 17407870
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 63609430
3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione
CID 62024199
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]azepan-2-one
CID 62023902
2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 62923985
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 55321637
2-cyclopentyloxy-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 43799424
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 55136659

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione (CID 62024381) is 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione is CCn1c(C)cc(C(=O)CN2C(=O)CC(C)C2=O)c1C.
What is the InChIKey of 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is PQYHHOJZJAIJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-5-16-10(3)7-12(11(16)4)13(18)8-17-14(19)6-9(2)15(17)20/h7,9H,5-6,8H2,1-4H3.
What are the key properties of 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 62024381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).