Pyrrole-2-carboxylate | SBID = 773 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 55.9 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | -1.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 85.6 | ||
| Sum Formula: | C5H4NO2- | ||
| M / g/mol: | 110.09 | ||
| Complexity: | 97.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: Pyrrole-2-carboxylate
- Preferred Abbreviation: Pyrrole-2-carboxylate
- IUPAC Name: 1H-pyrrole-2-carboxylate
- CAS:
- CID: 3330246
- InChiKey: WRHZVMBBRYBTKZ-UHFFFAOYSA-M
- InChi: InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)/p-1
- CanoSmiles: C1=CNC(=C1)C(=O)[O-]
- IsoSmiles: C1=CNC(=C1)C(=O)[O-]
