1-(3-methoxypropoxy)pyrrolidine-2,5-dione

C8H13NO4 — CID 59274176

IUPAC1-(3-methoxypropoxy)pyrrolidine-2,5-dione
SMILESCOCCCON1C(=O)CCC1=O
InChIInChI=1S/C8H13NO4/c1-12-5-2-6-13-9-7(10)3-4-8(9)11/h2-6H2,1H3
InChIKeyDJWPCSPJLZHRAH-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.10
Rot. Bonds5

About 1-(3-methoxypropoxy)pyrrolidine-2,5-dione

1-(3-methoxypropoxy)pyrrolidine-2,5-dione (PubChem CID 59274176) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(3-methoxypropoxy)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxypropoxy)pyrrolidine-2,5-dione
PubChem CID59274176
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(3-methoxypropoxy)pyrrolidine-2,5-dione
SMILESCOCCCON1C(=O)CCC1=O
InChIInChI=1S/C8H13NO4/c1-12-5-2-6-13-9-7(10)3-4-8(9)11/h2-6H2,1H3
InChIKeyDJWPCSPJLZHRAH-UHFFFAOYSA-N
XLogP0.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2,5-dioxopyrrolidin-1-yl) 2-[bis(3-methoxypropoxy)amino]acetate
CID 59760899
1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione
CID 154979386
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451
(2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate
CID 59859142
1-[3-(2-bromo-4,6-dimethylphenoxy)propoxy]pyrrolidine-2,5-dione
CID 2221359
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
(2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate
CID 175750111
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 51340983
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 71356458
1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one
CID 69185939
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 89254876
1-(propan-2-yloxymethoxy)pyrrolidine-2,5-dione
CID 167320209

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropoxy)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-methoxypropoxy)pyrrolidine-2,5-dione (CID 59274176) is 1-(3-methoxypropoxy)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-methoxypropoxy)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-methoxypropoxy)pyrrolidine-2,5-dione is COCCCON1C(=O)CCC1=O.
What is the InChIKey of 1-(3-methoxypropoxy)pyrrolidine-2,5-dione?
The InChIKey is DJWPCSPJLZHRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-12-5-2-6-13-9-7(10)3-4-8(9)11/h2-6H2,1H3.
What are the key properties of 1-(3-methoxypropoxy)pyrrolidine-2,5-dione?
1-(3-methoxypropoxy)pyrrolidine-2,5-dione has a molecular weight of 187.19 g/mol, XLogP of 0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropoxy)pyrrolidine-2,5-dione is sourced from PubChem (CID 59274176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).