(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate

C12H10N2O7 — CID 162693646

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate
SMILESO=C(CCC(=O)N1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H10N2O7/c15-7-1-2-8(16)13(7)9(17)5-6-12(20)21-14-10(18)3-4-11(14)19/h1-2H,3-6H2
InChIKeyCOPZIAXAEKPOFY-UHFFFAOYSA-N
MW294.22 g/mol
LogP-1.17
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate

(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate (PubChem CID 162693646) has the molecular formula C12H10N2O7 and a molecular weight of 294.22 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate
PubChem CID162693646
Molecular FormulaC12H10N2O7
Molecular Weight294.22 g/mol
Exact Mass294.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate
SMILESO=C(CCC(=O)N1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H10N2O7/c15-7-1-2-8(16)13(7)9(17)5-6-12(20)21-14-10(18)3-4-11(14)19/h1-2H,3-6H2
InChIKeyCOPZIAXAEKPOFY-UHFFFAOYSA-N
XLogP-1.17
TPSA118.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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
(2,5-Dioxopyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 11821930
2,5-Dioxopyrrolidin-1-yl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 22389997
2,5-Dioxopyrrolidin-1-yl 3-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)oxy)propanoate
CID 57755348
(3-Methyl-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 60036404
4-(2,5-Dioxopyrrol-1-yl)butanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 69254513
(2,5-Dioxopyrrolidin-1-yl) acetate;pyrrole-2,5-dione
CID 87683063
(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 87930817
(2,5-Dioxopyrrolidin-1-yl) 3-(1-oxido-2,5-dioxopyrrol-1-ium-1-yl)propanoate
CID 88195469
(2,5-Dioxopyrrol-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 88959503
(2,5-Dioxopyrrolidin-1-yl) propanoate;pyrrole-2,5-dione
CID 118571190

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate (CID 162693646) is (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate is O=C(CCC(=O)N1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate?
The InChIKey is COPZIAXAEKPOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O7/c15-7-1-2-8(16)13(7)9(17)5-6-12(20)21-14-10(18)3-4-11(14)19/h1-2H,3-6H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate?
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate has a molecular weight of 294.22 g/mol, XLogP of -1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoate is sourced from PubChem (CID 162693646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).