E)-3-(2,5-dioxo-3-(propan-2-ylidene)pyrrolidin-1-yl)acrylic acid
PubChem CID
129845797
Structure
Molecular Formula
Synonyms
- E)-3-(2,5-dioxo-3-(propan-2-ylidene)pyrrolidin-1-yl)acrylic acid
- (e)-3-(2,5-dioxo-3-(propan-2-ylidene)pyrrolidin-1-yl)acrylic acid
- (E)-3-[2,5-Dioxo-3-(propan-2-ylidene)pyrrolidin-1-yl]acrylic acid
- CHEBI:202555
- (E)-3-(2,5-dioxo-3-propan-2-ylidenepyrrolidin-1-yl)prop-2-enoic acid
Molecular Weight
209.20 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2017-09-13
- Modify:2025-01-18
Description
E)-3-(2,5-dioxo-3-(propan-2-ylidene)pyrrolidin-1-yl)acrylic acid is a dicarboximide.
E)-3-(2,5-dioxo-3-(propan-2-ylidene)pyrrolidin-1-yl)acrylic acid has been reported in Talaromyces verruculosus with data available.
Chemical Structure Depiction
CCDC Number
Associated Article
Crystal Structure Data
(E)-3-(2,5-dioxo-3-propan-2-ylidenepyrrolidin-1-yl)prop-2-enoic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C10H11NO4/c1-6(2)7-5-8(12)11(10(7)15)4-3-9(13)14/h3-4H,5H2,1-2H3,(H,13,14)/b4-3+
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
NJELHZGOSAFVJP-ONEGZZNKSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CC(=C1CC(=O)N(C1=O)/C=C/C(=O)O)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H11NO4
Computed by PubChem 2.1 (PubChem release 2019.06.18)
(E)-3-(2,5-dioxo-3-(propan-2-ylidene)pyrrolidin-1-yl)acrylic acid
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
209.20 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
0.3
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
209.06880783 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
209.06880783 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
74.7 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
15
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
388
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- ChEBIE)-3-(2,5-dioxo-3-(propan-2-ylidene)pyrrolidin-1-yl)acrylic acidhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:202555
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/E)-3-(2,5-dioxo-3-(propan-2-ylidene)pyrrolidin-1-yl)acrylic acidhttps://www.wikidata.org/wiki/Q77372067LOTUS Treehttps://lotus.naturalproducts.net/
- Crystallography Open Database (COD)LICENSEAll data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.https://creativecommons.org/publicdomain/zero/1.0/
- The Cambridge Structural Database
- The Natural Products AtlasLICENSEThe Natural Products Atlas is licensed under a Creative Commons Attribution 4.0 International License.https://www.npatlas.org/termsE)-3-(2,5-dioxo-3-(propan-2-ylidene)pyrrolidin-1-yl)acrylic acidhttps://www.npatlas.org/explore/compounds/NPA005371The Natural Products Atlas Classificationhttps://www.npatlas.org/
- Metabolomics WorkbenchE)-3-(2,5-dioxo-3-(propan-2-ylidene)pyrrolidin-1-yl)acrylic acidhttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=113878
- SpectraBase(E)-3-(2,5-DIOXO-3-(PROPAN-2-YLIDENE)-PYRROLIDIN-1-YL)-ACRYLIC-ACIDhttps://spectrabase.com/spectrum/G0MMaoR84pw
- Springer Nature
- WikidataE)-3-(2,5-dioxo-3-(propan-2-ylidene)pyrrolidin-1-yl)acrylic acidhttps://www.wikidata.org/wiki/Q77372067
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html(E)-3-(2,5-dioxo-3-(propan-2-ylidene)pyrrolidin-1-yl)acrylic acidhttps://www.ncbi.nlm.nih.gov/mesh/67581277
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS