N-((5-bromofuran-2-yl)methyl)prop-2-en-1-amine | SBID = 551 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | |||
| Number of H-Bond Acceptors: | |||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C8H10BrNO | ||
| M / g/mol: | 216.08 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: N-((5-bromofuran-2-yl)methyl)prop-2-en-1-amine
- Preferred Abbreviation: N-((5-bromofuran-2-yl)methyl)prop-2-en-1-amine
- IUPAC Name: N-((5-bromofuran-2-yl)methyl)prop-2-en-1-amine
- CAS:
- CID: -124
- InChiKey: OZELKAJRKNUPCT-UHFFFAOYSA-N
- InChi: InChI=1S/C8H10BrNO/c1-2-5-10-6-7-3-4-8(9)11-7/h2-4,10H,1,5-6H2
- CanoSmiles: C=CCNCC1=CC=C(Br)O1
- IsoSmiles: C=CCNCC1=CC=C(Br)O1
