(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate

C11H10N2O7 — CID 131637407

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate
SMILESO=C(C=CON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H10N2O7/c14-7-1-2-8(15)12(7)19-6-5-11(18)20-13-9(16)3-4-10(13)17/h5-6H,1-4H2
InChIKeyZFPYYMFOBLPEFQ-UHFFFAOYSA-N
MW282.21 g/mol
LogP-0.81
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate

(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate (PubChem CID 131637407) has the molecular formula C11H10N2O7 and a molecular weight of 282.21 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate
PubChem CID131637407
Molecular FormulaC11H10N2O7
Molecular Weight282.21 g/mol
Exact Mass282.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate
SMILESO=C(C=CON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H10N2O7/c14-7-1-2-8(15)12(7)19-6-5-11(18)20-13-9(16)3-4-10(13)17/h5-6H,1-4H2
InChIKeyZFPYYMFOBLPEFQ-UHFFFAOYSA-N
XLogP-0.81
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
(Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid
CID 87272120
(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
CID 58362051
(2,5-dioxopyrrolidin-1-yl) 3-(2-chlorophenyl)prop-2-enoate
CID 4777919
(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid
CID 174926925
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate
CID 173062460
(2,5-dioxopyrrolidin-1-yl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 102534806
(2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate
CID 146567329
(2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate
CID 71330676
(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen
CID 177137018
(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
CID 87500433

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate (CID 131637407) is (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate is O=C(C=CON1C(=O)CCC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate?
The InChIKey is ZFPYYMFOBLPEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O7/c14-7-1-2-8(15)12(7)19-6-5-11(18)20-13-9(16)3-4-10(13)17/h5-6H,1-4H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate?
(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate has a molecular weight of 282.21 g/mol, XLogP of -0.81, 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) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate is sourced from PubChem (CID 131637407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).