(Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid

C8H7NO6 — CID 87272120

IUPAC(Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H7NO6/c10-5-1-2-6(11)9(5)15-8(14)4-3-7(12)13/h3-4H,1-2H2,(H,12,13)/b4-3-
InChIKeyWWJKXIVLMKRXPC-ARJAWSKDSA-N
MW213.14 g/mol
LogP-0.77
Rot. Bonds3

About (Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid

(Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid (PubChem CID 87272120) has the molecular formula C8H7NO6 and a molecular weight of 213.14 g/mol. Its IUPAC name is (Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid
PubChem CID87272120
Molecular FormulaC8H7NO6
Molecular Weight213.14 g/mol
Exact Mass213.03
IUPAC Name(Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H7NO6/c10-5-1-2-6(11)9(5)15-8(14)4-3-7(12)13/h3-4H,1-2H2,(H,12,13)/b4-3-
InChIKeyWWJKXIVLMKRXPC-ARJAWSKDSA-N
XLogP-0.77
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
(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
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(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
(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol
CID 87408657
(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
4-oxo-4-piperidin-1-yloxybut-2-enoic acid
CID 54120828
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid (CID 87272120) is (Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid is O=C(O)/C=C\C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid?
The InChIKey is WWJKXIVLMKRXPC-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H7NO6/c10-5-1-2-6(11)9(5)15-8(14)4-3-7(12)13/h3-4H,1-2H2,(H,12,13)/b4-3-.
What are the key properties of (Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid?
(Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid has a molecular weight of 213.14 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 87272120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).