Tetramic acid
PubChem CID: 54687243
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| Compound Synonyms | Tetramic acid, 503-83-3, 4-Hydroxy-1H-pyrrol-2(5H)-one, 4-hydroxy-2,5-dihydro-1H-pyrrol-2-one, 3-hydroxy-1,2-dihydropyrrol-5-one, 1,5-Dihydro-4-hydroxy-2H-pyrrol-2-one, 2H-Pyrrol-2-one, 1,5-dihydro-4-hydroxy-, DTXSID30198308, 5-Hydroxy-1H-pyrrol-3(2H)-one, 79469-69-5, CHEMBL92167, DTXCID20120799, MFCD13194923, AKOS006356772, AKOS015898076, DB-071188, CS-0311627, F14818, Q15632820 |
|---|---|
| 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 |
| Deep Smiles | OC=CC=O)NC5 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Pyrrolines |
| Scaffold Graph Node Level | OC1CCCN1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-1,2-dihydropyrrol-5-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H5NO2 |
| Scaffold Graph Node Bond Level | O=C1C=CCN1 |
| Inchi Key | RUXHWBMJNBBYNL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | (r)-1,5-dihydro-3-hydroxy-2h-pyrrol-2-one |
| Esol Class | Highly soluble |
| Functional Groups | O=C1C=C(O)CN1 |
| Compound Name | Tetramic acid |
| Exact Mass | 99.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 99.032 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 99.09 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H5NO2/c6-3-1-4(7)5-2-3/h1,6H,2H2,(H,5,7) |
| Smiles | C1C(=CC(=O)N1)O |
| Np Classifier Biosynthetic Pathway | Alkaloids, Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729