Smipine
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Basic information
- CAS
52196-11-9- Standard SMILES
O=CN1CCCCC1C1=NCCC1- InChIKey
FBNJGSJNODLRSZ-UHFFFAOYSA-N- Molecular formula
- C10H16N2O
- Average molar mass
- 180.25 g/mol
- Monoisotopic mass
- 180.12626314
Overview
Smipine has been reported in Dichilus gracilis, Dichilus lebeckioides, and other organisms with data available.
Names & identifiers
- Preferred name
- Smipine
- IUPAC
- 2-(3,4-dihydro-2H-pyrrol-5-yl)piperidine-1-carbaldehyde
- English name
- SMIPINE
- Molecular formula
- C10H16N2O
- Molecular weight
- 180.25
Names & synonyms
Smipine52196-11-91-Piperidinecarboxaldehyde, 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-(3,4-Dihydro-2H-pyrrol-5-yl)-1-piperidinecarboxaldehydeRefChem:183418FBNJGSJNODLRSZ-UHFFFAOYSA-N2-(3,4-dihydro-2h-pyrrol-5-yl)piperidine-1-carbaldehydeDTXSID309665692-(3,4-Dihydro-2H-pyrrol-5-yl)-1-piperidinecarbaldehyde #2-(3,4-Dihydro-2H-pyrrol-5-yl)-1-piperidinecarbaldehyde1-Piperidinecarboxaldehyde, 2-(3,4-dihydro-2H-pyrrol-5-yl)- (9CI)
Database identifiers
- CAS
52196-11-9- PubChem CID
- 94549
- DTXSID
DTXSID30966569- Nikkaji
- J10.389F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Chemistry & industry
Applications
DescriptionA pyrrolizidine alkaloid, this base is found in Lupinus forrnosus. It forms a colourless oil when pure and has been shown, from chemical and spectroscopic data, to have the structure of 2-(l-formyl-2-piperidyl)-pyrroline.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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