Pyrrolidine, 1-(1-oxo-2-butenyl)-
Basic information
- CAS
51944-65-1- Standard SMILES
C/C=C/C(=O)N1CCCC1- InChIKey
MMSZAOIJVLACFN-UHFFFAOYSA-N- Molecular formula
- C8H13NO
- Average molar mass
- 139.19 g/mol
- Monoisotopic mass
- 139.09971404
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(1-oxo-2-butenyl)-
- IUPAC
- (E)-1-pyrrolidin-1-ylbut-2-en-1-one
- English name
- Pyrrolidine, 1-(1-oxo-2-butenyl)-
- Molecular formula
- C8H13NO
- Molecular weight
- 139.19
Names & synonyms
Pyrrolidine, 1-(1-oxo-2-butenyl)-51944-65-191106-77-3Pyrrolidine, 1-[(2E)-1-oxo-2-butenyl]-Pyrrolidine,1-(1-oxo-2-butenyl)-SCHEMBL9707061SCHEMBL20163346MMSZAOIJVLACFN-GORDUTHDSA-NAKOS0038553812-Buten-1-one, 1-(1-pyrrolidinyl)-
Database identifiers
- CAS
51944-65-1- PubChem CID
- 5463261
- Nikkaji
- J1.100.289G、J1.343.912E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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