bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate

C12H10N2O8 — CID 121006912

IUPACbis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H10N2O8/c15-7-1-2-8(16)13(7)21-11(19)5-6-12(20)22-14-9(17)3-4-10(14)18/h5-6H,1-4H2/b6-5-
InChIKeyYDGMGVCDKKUWDQ-WAYWQWQTSA-N
MW310.22 g/mol
LogP-1.24
Rot. Bonds4

About bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate

bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate (PubChem CID 121006912) has the molecular formula C12H10N2O8 and a molecular weight of 310.22 g/mol. Its IUPAC name is bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
PubChem CID121006912
Molecular FormulaC12H10N2O8
Molecular Weight310.22 g/mol
Exact Mass310.04
IUPAC Namebis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H10N2O8/c15-7-1-2-8(16)13(7)21-11(19)5-6-12(20)22-14-9(17)3-4-10(14)18/h5-6H,1-4H2/b6-5-
InChIKeyYDGMGVCDKKUWDQ-WAYWQWQTSA-N
XLogP-1.24
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid
CID 87272120
(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate
CID 131637407
(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 bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate?
The IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate (CID 121006912) is bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate.
What is the SMILES notation for bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate?
The canonical SMILES for bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate is O=C(/C=C\C(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate?
The InChIKey is YDGMGVCDKKUWDQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H10N2O8/c15-7-1-2-8(16)13(7)21-11(19)5-6-12(20)22-14-9(17)3-4-10(14)18/h5-6H,1-4H2/b6-5-.
What are the key properties of bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate?
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate has a molecular weight of 310.22 g/mol, XLogP of -1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate is sourced from PubChem (CID 121006912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).