(2,5-dioxopyrrolidin-1-yl) (E)-4-oxopent-2-enoate

C9H9NO5 — CID 58498465

IUPAC(2,5-dioxopyrrolidin-1-yl) (E)-4-oxopent-2-enoate
SMILESCC(=O)/C=C/C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H9NO5/c1-6(11)2-5-9(14)15-10-7(12)3-4-8(10)13/h2,5H,3-4H2,1H3/b5-2+
InChIKeyKGWZPQNLFOZTII-GORDUTHDSA-N
MW211.17 g/mol
LogP-0.26
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) (E)-4-oxopent-2-enoate

(2,5-dioxopyrrolidin-1-yl) (E)-4-oxopent-2-enoate (PubChem CID 58498465) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (E)-4-oxopent-2-enoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (E)-4-oxopent-2-enoate
PubChem CID58498465
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (E)-4-oxopent-2-enoate
SMILESCC(=O)/C=C/C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H9NO5/c1-6(11)2-5-9(14)15-10-7(12)3-4-8(10)13/h2,5H,3-4H2,1H3/b5-2+
InChIKeyKGWZPQNLFOZTII-GORDUTHDSA-N
XLogP-0.26
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
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

N-[(E,E)-4-ethyl-2,4-hexadienoyloxy]succinimide
CID 14329790
(2,5-dioxopyrrolidin-1-yl) (2E,4E)-hexa-2,4-dienoate
CID 15630360
bis(2,5-dioxopyrrolidin-1-yl) (2E,7E)-4,6-dioxonona-2,7-dienedioate
CID 59648921
1-[(Hexa-2,4-dienoyl)oxy]pyrrolidine-2,5-dione
CID 71332016
1-[(But-2-enoyl)oxy]pyrrolidine-2,5-dione
CID 71365111
(2,5-Dioxopyrrolidin-1-yl) oct-2-enoate
CID 88373204
(2,5-Dioxopyrrolidin-1-yl) but-2-enoate
CID 117893246
(2,5-Dioxopyrrolidin-1-yl) pent-3-enoate
CID 118461768
(2,5-dioxopyrrolidin-1-yl) (Z)-3-acetyl-5-oxohex-2-enoate
CID 126549834
(2,5-Dioxopyrrolidin-1-yl) undec-2-enoate
CID 140563360
But-3-en-2-one;(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;hydrate
CID 161229491
(2,5-Dioxopyrrolidin-1-yl) 4-ethylhexa-2,4-dienoate
CID 173394070

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (E)-4-oxopent-2-enoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (E)-4-oxopent-2-enoate (CID 58498465) is (2,5-dioxopyrrolidin-1-yl) (E)-4-oxopent-2-enoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (E)-4-oxopent-2-enoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (E)-4-oxopent-2-enoate is CC(=O)/C=C/C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (E)-4-oxopent-2-enoate?
The InChIKey is KGWZPQNLFOZTII-GORDUTHDSA-N. The full InChI is InChI=1S/C9H9NO5/c1-6(11)2-5-9(14)15-10-7(12)3-4-8(10)13/h2,5H,3-4H2,1H3/b5-2+.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (E)-4-oxopent-2-enoate?
(2,5-dioxopyrrolidin-1-yl) (E)-4-oxopent-2-enoate has a molecular weight of 211.17 g/mol, XLogP of -0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (E)-4-oxopent-2-enoate is sourced from PubChem (CID 58498465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).