2-Amino-4,5-dimethyl-3-furancarbonitrile
PubChem CID: 290220
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5117-88-4, 2-Amino-4,5-dimethylfuran-3-carbonitrile, 2-Amino-4,5-dimethyl-3-furancarbonitrile, 2-Amino-4,5-dimethyl-3-furonitrile, MFCD00274264, NSC686264, SCHEMBL441084, DTXSID10302744, HMS1637M22, FAA11788, NSC153310, STK422229, 2-amino-3-cyano-4,5-dimethylfurane, AKOS001178125, NSC 153310, NSC-153310, NSC-686264, PS-3102, SB61139, 2-Amino-4,5-dimethyl-3-furonitrile #, 3-Furonitrile, 2-amino-4,5-dimethyl-, 2-amino-4,5-dimethyl-furan-3-carbonitrile, DB-020408, 3-Furancarbonitrile, 2-amino-4,5-dimethyl-, EN300-15329, Furane-3-carbonitrile, 2-amino-4,5-dimethyl-, G78173, 2-Amino-4,5-dimethyl-3-furancarbonitrile, 95%, AP-853/40173265, F1973-0021, 625-598-6 |
|---|---|
| Topological Polar Surface Area | 63.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 172.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-4,5-dimethylfuran-3-carbonitrile |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C7H8N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ACHDPRAJHGRGDC-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -2.091 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.573 |
| Compound Name | 2-Amino-4,5-dimethyl-3-furancarbonitrile |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.064 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 136.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1062548 |
| Inchi | InChI=1S/C7H8N2O/c1-4-5(2)10-7(9)6(4)3-8/h9H2,1-2H3 |
| Smiles | CC1=C(OC(=C1C#N)N)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients