(E)-4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxobut-2-enoic acid

C10H11NO6 — CID 129283834

IUPAC(E)-4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C/C(=O)OCCN1C(=O)CCC1=O
InChIInChI=1S/C10H11NO6/c12-7-1-2-8(13)11(7)5-6-17-10(16)4-3-9(14)15/h3-4H,1-2,5-6H2,(H,14,15)/b4-3+
InChIKeyMOWUWAPJWBBZTN-ONEGZZNKSA-N
MW241.20 g/mol
LogP-0.68
Rot. Bonds5

About (E)-4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxobut-2-enoic acid

(E)-4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxobut-2-enoic acid (PubChem CID 129283834) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is (E)-4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxobut-2-enoic acid
PubChem CID129283834
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Name(E)-4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C/C(=O)OCCN1C(=O)CCC1=O
InChIInChI=1S/C10H11NO6/c12-7-1-2-8(13)11(7)5-6-17-10(16)4-3-9(14)15/h3-4H,1-2,5-6H2,(H,14,15)/b4-3+
InChIKeyMOWUWAPJWBBZTN-ONEGZZNKSA-N
XLogP-0.68
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-0.68
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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Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxobut-2-enoic acid (CID 129283834) is (E)-4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxobut-2-enoic acid is O=C(O)/C=C/C(=O)OCCN1C(=O)CCC1=O.
What is the InChIKey of (E)-4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxobut-2-enoic acid?
The InChIKey is MOWUWAPJWBBZTN-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H11NO6/c12-7-1-2-8(13)11(7)5-6-17-10(16)4-3-9(14)15/h3-4H,1-2,5-6H2,(H,14,15)/b4-3+.
What are the key properties of (E)-4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxobut-2-enoic acid?
(E)-4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxobut-2-enoic acid has a molecular weight of 241.20 g/mol, XLogP of -0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxobut-2-enoic acid is sourced from PubChem (CID 129283834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).