3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione

C13H21NO5 — CID 71056162

IUPAC3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
SMILESCC(=O)CCOCCOCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C13H21NO5/c1-10-9-12(16)14(13(10)17)4-6-19-8-7-18-5-3-11(2)15/h10H,3-9H2,1-2H3
InChIKeyXUPROPRZNIEGLU-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.39
Rot. Bonds9

About 3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione

3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione (PubChem CID 71056162) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
PubChem CID71056162
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
SMILESCC(=O)CCOCCOCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C13H21NO5/c1-10-9-12(16)14(13(10)17)4-6-19-8-7-18-5-3-11(2)15/h10H,3-9H2,1-2H3
InChIKeyXUPROPRZNIEGLU-UHFFFAOYSA-N
XLogP0.39
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methylsulfanyl-1-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
CID 159429749
1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 164585890
1-[2-[2-[2-[2-[3-(4-iodopiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 145076750
1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 103482320
3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
CID 134408422
1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione
CID 58143563
1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 139443419
(2S)-3-methyl-2-[3-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]-N-(2-oxopropyl)butanamide
CID 144981797
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide
CID 174277679
3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 156842258
ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 176682927
3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine
CID 163973889

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione (CID 71056162) is 3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione is CC(=O)CCOCCOCCN1C(=O)CC(C)C1=O.
What is the InChIKey of 3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione?
The InChIKey is XUPROPRZNIEGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-10-9-12(16)14(13(10)17)4-6-19-8-7-18-5-3-11(2)15/h10H,3-9H2,1-2H3.
What are the key properties of 3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione?
3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione has a molecular weight of 271.31 g/mol, XLogP of 0.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 71056162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).