5-Hydroxy-2-pyrrolidone
PubChem CID: 194148
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| Compound Synonyms | 5-hydroxypyrrolidin-2-one, 62312-55-4, 5-Hydroxy-2-pyrrolidinone, 5-Hydroxy-2-pyrrolidone, DL-5-Hydroxy-2-pyrrolidone, 2-Pyrrolidinone, 5-hydroxy-, 2-Pyrrolidinone, 5-hydroxy-, (+/-)-, 5-Hydroxy-2-pyrrolidinone, (+/-)-5-Hydroxy-2-pyrrolidone, 5-Hydroxy-2-pyrrolidone, 5-Hydroxypyrrolidin-2-one, 5-hydroxy-pyrrolidin-2-one, SCHEMBL1270824, WBGWUCXEMSSZJL-UHFFFAOYSA-N, HY-N2675, AKOS006352895, FS-8892, DB-333046, CS-0023112, 2-Pyrrolidinone, 5-hydroxy-, ()-, 5-Hydroxy-2-pyrrolidinone, ()-5-Hydroxy-2-pyrrolidone, 5-Hydroxy-2-pyrrolidone, 5-Hydroxypyrrolidin-2-one |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC1 |
| Np Classifier Class | Pyrrolidine alkaloids |
| Deep Smiles | OCCCC=O)N5 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Pyrrolidines |
| Scaffold Graph Node Level | OC1CCCN1 |
| Classyfire Subclass | Pyrrolidones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 91.7 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxypyrrolidin-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H7NO2 |
| Scaffold Graph Node Bond Level | O=C1CCCN1 |
| Inchi Key | WBGWUCXEMSSZJL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 5-hydroxypyrrolidin-2-one |
| Esol Class | Highly soluble |
| Functional Groups | O=C1CCC(O)N1 |
| Compound Name | 5-Hydroxy-2-pyrrolidone |
| Exact Mass | 101.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 101.048 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 101.1 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H7NO2/c6-3-1-2-4(7)5-3/h3,6H,1-2H2,(H,5,7) |
| Smiles | C1CC(=O)NC1O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Ornithine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Pteridium Aquilinum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/18437503