4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid

Substructure search Find similar structures

Basic information

CAS: 147636-53-1
Standard SMILES: O=C(O)/C=C/C(=O)N1CCCC1
InChIKey: PRWOFATVPNXQOZ-ONEGZZNKSA-N
Molecular formula: C8H11NO3
Average molar mass: 169.18 g/mol
Monoisotopic mass: 169.07389321

Names & identifiers

Preferred name: 4-Oxo-4-(1-pyrrolidinyl)-2-butenoic acid
IUPAC: (E)-4-oxo-4-pyrrolidin-1-ylbut-2-enoic acid

Names & synonyms

147636-53-14-oxo-4-(1-pyrrolidinyl)-2-butenoic acid(E)-4-oxo-4-pyrrolidin-1-ylbut-2-enoic acid2-Butenoic acid, 4-oxo-4-(1-pyrrolidinyl)-, (E)-(E)-4-Oxo-4-(pyrrolidin-1-yl)but-2-enoic acidDTXSID401240144AKOS0001296994-oxo-4-(pyrrolidin-1-yl)but-2-enoic acidF3147-2678(2E)-4-OXO-4-(PYRROLIDIN-1-YL)BUT-2-ENOIC ACID

Database identifiers

CAS: 147636-53-1
PubChem CID: 676532
DTXSID: DTXSID401240144

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 216

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…