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

C11H12N2O6 — CID 161377894

IUPAC(2,5-dioxopyrrolidin-1-yl) acetate;1-methylpyrrole-2,5-dione
SMILESCC(=O)ON1C(=O)CCC1=O.CN1C(=O)C=CC1=O
InChIInChI=1S/C6H7NO4.C5H5NO2/c1-4(8)11-7-5(9)2-3-6(7)10;1-6-4(7)2-3-5(6)8/h2-3H2,1H3;2-3H,1H3
InChIKeyVRHXQRZMDXTFFF-UHFFFAOYSA-N
MW268.22 g/mol
LogP-0.85
Rot. Bonds1

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

(2,5-dioxopyrrolidin-1-yl) acetate;1-methylpyrrole-2,5-dione (PubChem CID 161377894) has the molecular formula C11H12N2O6 and a molecular weight of 268.22 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) acetate;1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) acetate;1-methylpyrrole-2,5-dione
PubChem CID161377894
Molecular FormulaC11H12N2O6
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) acetate;1-methylpyrrole-2,5-dione
SMILESCC(=O)ON1C(=O)CCC1=O.CN1C(=O)C=CC1=O
InChIInChI=1S/C6H7NO4.C5H5NO2/c1-4(8)11-7-5(9)2-3-6(7)10;1-6-4(7)2-3-5(6)8/h2-3H2,1H3;2-3H,1H3
InChIKeyVRHXQRZMDXTFFF-UHFFFAOYSA-N
XLogP-0.85
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 5-0.85
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
Maleimidoacetic acid N-hydroxysuccinimide ester
CID 3299229
N-(gamma-maleimidobutyryl)succinimide
CID 17961676
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
1-[4-(2,5-Dioxopyrrolidin-1-yl)oxybutyl]pyrrole-2,5-dione
CID 21660856
2,5-Dioxopyrrolidin-1-yl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 22389997

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) acetate;1-methylpyrrole-2,5-dione?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) acetate;1-methylpyrrole-2,5-dione (CID 161377894) is (2,5-dioxopyrrolidin-1-yl) acetate;1-methylpyrrole-2,5-dione.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) acetate;1-methylpyrrole-2,5-dione?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) acetate;1-methylpyrrole-2,5-dione is CC(=O)ON1C(=O)CCC1=O.CN1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) acetate;1-methylpyrrole-2,5-dione?
The InChIKey is VRHXQRZMDXTFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4.C5H5NO2/c1-4(8)11-7-5(9)2-3-6(7)10;1-6-4(7)2-3-5(6)8/h2-3H2,1H3;2-3H,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) acetate;1-methylpyrrole-2,5-dione?
(2,5-dioxopyrrolidin-1-yl) acetate;1-methylpyrrole-2,5-dione has a molecular weight of 268.22 g/mol, XLogP of -0.85, 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;1-methylpyrrole-2,5-dione is sourced from PubChem (CID 161377894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).