1-Hexadecanoylpyrrolidine
PubChem CID: 247220
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| Compound Synonyms | 1-Hexadecanoylpyrrolidine, 70974-48-0, 1-pyrrolidin-1-ylhexadecan-1-one, 1-(Pyrrolidin-1-yl)hexadecan-1-one, N-Hexadecanoylpyrrolidine, L9VH2AR5CQ, Pyrrolidine, 1-palmitoyl-, N-Pyrrolidinyl-hexadecanamide, NSC-61588, 1-Hexadecanone, 1-(1-pyrrolidinyl)-, Pyrrolidine, 1-(1-oxohexadecyl)-, 1-(1-Pyrrolidinyl)-1-hexadecanone, UNII-L9VH2AR5CQ, Alkaloid MQ-B2, NSC61588, Hexadecanoylpyrrolidine, N-Palmitoylpyrrolidine, Hexadecanoic acid pyrrolidide, NCIOpen2_007904, Hexadecanoic acid, pyrrolidide, CHEMBL1223443, SCHEMBL10534171, DTXSID80289492, CHEBI:172539, ULDNZNZTSYZQKK-UHFFFAOYSA-N, AS-77702, D97200 |
|---|---|
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | ULDNZNZTSYZQKK-UHFFFAOYSA-N |
| Rotatable Bond Count | 14.0 |
| Synonyms | 1-Hexadecanoylpyrrolidine, Alkaloid MQ-B2, Hexadecanoic acid pyrrolidide, Hexadecanoylpyrrolidine, N-Hexadecanoylpyrrolidine, N-Palmitoylpyrrolidine |
| Heavy Atom Count | 22.0 |
| Compound Name | 1-Hexadecanoylpyrrolidine |
| Description | Alkaloid from Ipomoea aquatica (water spinach). N-Hexadecanoylpyrrolidine is found in green vegetables and pepper (spice). |
| Exact Mass | 309.303 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 309.303 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 309.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-pyrrolidin-1-ylhexadecan-1-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h2-19H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCC(=O)N1CCCC1 |
| Xlogp | 7.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H39NO |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all