| CAS Number | 142651-63-6 |
| Catalog Number | AG01ELWL(AGN-PC-02KJL7) |
| Chemical Name | 1-(propan-2-yl)-2,5-dihydro-1H-pyrrole |
| IUPAC Name | 1-propan-2-yl-2,5-dihydropyrrole |
| InChI | InChI=1S/C7H13N/c1-7(2)8-5-3-4-6-8/h3-4,7H,5-6H2,1-2H3 |
| InChI Key | MXJXGVAHWNWPHD-UHFFFAOYSA-N |
| MDL Number | MFCD31665745 |
| Molecular Formula | C7H13N |
| Molecular Weight | 111.1848 |
| SMILES | CC(N1CC=CC1)C |
| Synonyms | SCHEMBL1102010,
142651-63-6,
1-(propan-2-yl)-2,5-dihydro-1H-pyrrole,
1-isopropyl-2,5-dihydro-1H-pyrrole,
|
| Complexity | 86.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.188g/mol |
| Monoisotopic Mass | 111.105g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number