3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanal

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Basic information

CAS: 25441-46-7
Standard SMILES: O=CCCN1C(=O)C=CC1=O
InChIKey: BUKJIMFRGCHNGI-UHFFFAOYSA-N
Molecular formula: C7H7NO3
Average molar mass: 153.14 g/mol
Monoisotopic mass: 153.04259309

Names & identifiers

Preferred name: 3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanal
IUPAC: 3-(2,5-dioxopyrrol-1-yl)propanal

Names & synonyms

25441-46-73-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanal3-(2,5-dioxo-2,5-dihydropyrrole-1-yl)propionaldehyde1H-Pyrrole-1-propanal, 2,5-dihydro-2,5-dioxo-3-(2,5-DIOXOPYRROL-1-YL)PROPANALSCHEMBL34594SCHEMBL2463763DTXSID30601589BUKJIMFRGCHNGI-UHFFFAOYSA-N3-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-propionaldehyde

Database identifiers

CAS: 25441-46-7
PubChem CID: 19973393
DTXSID: DTXSID30601589

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 214

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Compound notes

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