2-Methoxy-1h-pyrrole
PubChem CID: 13795010
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| Compound Synonyms | 2-methoxy-1h-pyrrole, 71580-13-7, DTXSID50549691, methoxypyrrole, DTXCID60500475 |
|---|---|
| Topological Polar Surface Area | 25.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 56.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-1H-pyrrole |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C5H7NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | FYXXJXKLTCPPHW-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.83 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.535 |
| Compound Name | 2-Methoxy-1h-pyrrole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 97.0528 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 97.0528 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 97.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5472968285714286 |
| Inchi | InChI=1S/C5H7NO/c1-7-5-3-2-4-6-5/h2-4,6H,1H3 |
| Smiles | COC1=CC=CN1 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients