(2,5-dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione

C15H24N2O6 — CID 143751253

IUPAC(2,5-dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione
SMILESCC.CC.CC(=O)ON1C(=O)CCC1=O.CN1C(=O)C=CC1=O
InChIInChI=1S/C6H7NO4.C5H5NO2.2C2H6/c1-4(8)11-7-5(9)2-3-6(7)10;1-6-4(7)2-3-5(6)8;2*1-2/h2-3H2,1H3;2-3H,1H3;2*1-2H3
InChIKeyXMDLPEMDHPBEEG-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.21
Rot. Bonds1

About (2,5-dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione

(2,5-dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione (PubChem CID 143751253) has the molecular formula C15H24N2O6 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione
PubChem CID143751253
Molecular FormulaC15H24N2O6
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione
SMILESCC.CC.CC(=O)ON1C(=O)CCC1=O.CN1C(=O)C=CC1=O
InChIInChI=1S/C6H7NO4.C5H5NO2.2C2H6/c1-4(8)11-7-5(9)2-3-6(7)10;1-6-4(7)2-3-5(6)8;2*1-2/h2-3H2,1H3;2-3H,1H3;2*1-2H3
InChIKeyXMDLPEMDHPBEEG-UHFFFAOYSA-N
XLogP1.21
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-dioxopyrrolidin-1-yl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoate
CID 4620597
N-(gamma-Maleimidobutyryloxy)succinimide
CID 133440
N-(6-Maleimidocaproyloxy)succinimide
CID 5091655
Maleimidoacetic acid N-hydroxysuccinimide ester
CID 3299229
Succinimidyl maleimidopropionate
CID 18546706
(2,5-Dioxopyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 11821930
(2,5-dioxopyrrolidin-1-yl) (2S)-2-(2,5-dioxopyrrol-1-yl)propanoate
CID 18653285
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 18673374
(2,5-Dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)butanoate
CID 19597164
(2,5-Dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)butanoate
CID 20082949
2,5-Dioxopyrrolidin-1-yl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 22389997
(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 23506201

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione (CID 143751253) is (2,5-dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione is CC.CC.CC(=O)ON1C(=O)CCC1=O.CN1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione?
The InChIKey is XMDLPEMDHPBEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4.C5H5NO2.2C2H6/c1-4(8)11-7-5(9)2-3-6(7)10;1-6-4(7)2-3-5(6)8;2*1-2/h2-3H2,1H3;2-3H,1H3;2*1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione?
(2,5-dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione has a molecular weight of 328.37 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione is sourced from PubChem (CID 143751253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).