(2S)-1-[(2S)-1,2-dimethylpyrrolidin-2-yl]propan-2-ol
PubChem CID: 162937546
Connections displayed (default: 10).
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| Topological Polar Surface Area | 23.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 138.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-1-[(2S)-1,2-dimethylpyrrolidin-2-yl]propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C9H19NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | KYEKSZMDGACCQD-IUCAKERBSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.646 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.025 |
| Compound Name | (2S)-1-[(2S)-1,2-dimethylpyrrolidin-2-yl]propan-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 157.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 157.147 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 157.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3822934 |
| Inchi | InChI=1S/C9H19NO/c1-8(11)7-9(2)5-4-6-10(9)3/h8,11H,4-7H2,1-3H3/t8-,9-/m0/s1 |
| Smiles | C[C@@H](C[C@@]1(CCCN1C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adenia Volkensii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Baccharis Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Euphorbia Clarkeana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Iris Pallasii (Plant) Rel Props:Source_db:cmaup_ingredients