1-(1H-hyrrole-2-ylcarbonyl)guanidinium | SBID = 766 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 98.9 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 111.9 | ||
| Sum Formula: | C6H9N4O+ | ||
| M / g/mol: | 153.16 | ||
| Complexity: | 185.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest, charged
- Name: 1-(1H-hyrrole-2-ylcarbonyl)guanidinium
- Preferred Abbreviation: 1-(1H-pyrrole-2-ylcarbonyl)guanidinium
- IUPAC Name: diaminomethylidene(1H-pyrrole-2-carbonyl)azanium
- CAS:
- CID: 101018013
- InChiKey: PDIGBZFEANIGFZ-UHFFFAOYSA-O
- InChi: InChI=1S/C6H8N4O/c7-6(8)10-5(11)4-2-1-3-9-4/h1-3,9H,(H4,7,8,10,11)/p+1
- CanoSmiles: C1=CNC(=C1)C(=O)[NH+]=C(N)N
- IsoSmiles: C1=CNC(=C1)C(=O)[NH+]=C(N)N
