Pyrrolidine, 1-(1-oxo-7,10-hexadecadienyl)-
PubChem CID: 5370371
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| Compound Synonyms | 56666-41-2, Pyrrolidine, 1-(1-oxo-7,10-hexadecadienyl)-, ZVYZOSDILQDZJD-AVQMFFATSA-N, DB-223248, 1-[(7E,10E)-7,10-Hexadecadienoyl]pyrrolidine #, (7E,10e)-1-(1-pyrrolidinyl)-7,10-hexadecadien-1-one |
|---|---|
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7E,10E)-1-pyrrolidin-1-ylhexadeca-7,10-dien-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C20H35NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZVYZOSDILQDZJD-AVQMFFATSA-N |
| Fcsp3 | 0.75 |
| Logs | -5.127 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.408 |
| Compound Name | Pyrrolidine, 1-(1-oxo-7,10-hexadecadienyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 305.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 305.272 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 305.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.6057372 |
| Inchi | InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h6-7,9-10H,2-5,8,11-19H2,1H3/b7-6+,10-9+ |
| Smiles | CCCCC/C=C/C/C=C/CCCCCC(=O)N1CCCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients