1-(1-Methylpyrrolidin-2-yl)acetone
PubChem CID: 94157
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| Compound Synonyms | 1-(1-methylpyrrolidin-2-yl)propan-2-one, 45771-52-6, 1-(1-methylpyrrolidin-2-yl)acetone, (+/-)-Hygrine, 2-Propanone, 1-(1-methyl-2-pyrrolidinyl)-, Hygrine, (+/-)-, RV8N61EC6K, CHEBI:84448, 2-Propanone, 1-(1-methyl-2-pyrrolidinyl)-, (R)-, UNII-RV8N61EC6K, SCHEMBL335690, CHEMBL315140, 1-Methyl-2-acetonyl-pyrrolidin, WZB81537, AKOS017518009, EN300-1854457, Q27157769 |
|---|---|
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(1-methylpyrrolidin-2-yl)propan-2-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Is Pains | False |
| Molecular Formula | C8H15NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | ADKXZIOQKHHDNQ-UHFFFAOYSA-N |
| Fcsp3 | 0.875 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 1-(1-Methylpyrrolidin-2-yl)acetone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 141.115 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 141.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 141.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8796267999999999 |
| Inchi | InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3 |
| Smiles | CC(=O)CC1CCCN1C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nicandra Physalodes (Plant) Rel Props:Source_db:cmaup_ingredients