5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione

C13H12N2O6 — CID 91408352

IUPAC5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione
SMILESC=CC1=C(C=C)C(=O)N(C2CC(O)(O)C(=O)NC2=O)C1=O
InChIInChI=1S/C13H12N2O6/c1-3-6-7(4-2)11(18)15(10(6)17)8-5-13(20,21)12(19)14-9(8)16/h3-4,8,20-21H,1-2,5H2,(H,14,16,19)
InChIKeyWROWUMKQJPMPLP-UHFFFAOYSA-N
MW292.25 g/mol
LogP-1.88
Rot. Bonds3

About 5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione

5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione (PubChem CID 91408352) has the molecular formula C13H12N2O6 and a molecular weight of 292.25 g/mol. Its IUPAC name is 5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione.

Molecular Properties

Compound Name5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione
PubChem CID91408352
Molecular FormulaC13H12N2O6
Molecular Weight292.25 g/mol
Exact Mass292.07
IUPAC Name5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione
SMILESC=CC1=C(C=C)C(=O)N(C2CC(O)(O)C(=O)NC2=O)C1=O
InChIInChI=1S/C13H12N2O6/c1-3-6-7(4-2)11(18)15(10(6)17)8-5-13(20,21)12(19)14-9(8)16/h3-4,8,20-21H,1-2,5H2,(H,14,16,19)
InChIKeyWROWUMKQJPMPLP-UHFFFAOYSA-N
XLogP-1.88
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-3,4-bis(ethenyl)pyrrole-2,5-dione
CID 142338376
3,4-bis(ethenyl)-1-[(3S)-1-methyl-2-oxo-4,5-dihydro-3H-azepin-3-yl]pyrrole-2,5-dione
CID 145225150
2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione
CID 165166632
(5Z)-5-(dimethylaminomethylidene)-4-ethenyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoquinoline-1,3-dione
CID 176967648
3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 177212209
ethane;3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane
CID 177212208
2-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]isoindole-1,3-dione
CID 92977923
bis((E)-but-2-enedioic acid);2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175735508
acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione
CID 176988345
3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione
CID 178143020
3-[3-methyl-2,5-dioxo-4-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]pyrrol-1-yl]piperidine-2,6-dione
CID 170190228
(3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
CID 130441791

Frequently Asked Questions

What is the IUPAC name of 5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione?
The IUPAC name of 5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione (CID 91408352) is 5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione.
What is the SMILES notation for 5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione?
The canonical SMILES for 5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione is C=CC1=C(C=C)C(=O)N(C2CC(O)(O)C(=O)NC2=O)C1=O.
What is the InChIKey of 5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione?
The InChIKey is WROWUMKQJPMPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O6/c1-3-6-7(4-2)11(18)15(10(6)17)8-5-13(20,21)12(19)14-9(8)16/h3-4,8,20-21H,1-2,5H2,(H,14,16,19).
What are the key properties of 5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione?
5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione has a molecular weight of 292.25 g/mol, XLogP of -1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,4-bis(ethenyl)-2,5-dioxopyrrol-1-yl]-3,3-dihydroxypiperidine-2,6-dione is sourced from PubChem (CID 91408352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).