| CAS Number | 116195-42-7 |
| Catalog Number | AG01C4TE |
| Chemical Name | methyl 2-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate |
| IUPAC Name | methyl 5-methyl-1-propan-2-yl-2,3-dihydropyrrole-4-carboxylate |
| InChI | InChI=1S/C10H17NO2/c1-7(2)11-6-5-9(8(11)3)10(12)13-4/h7H,5-6H2,1-4H3 |
| InChI Key | BEHXBZVNQAYCKW-UHFFFAOYSA-N |
| MDL Number | MFCD29991332 |
| Molecular Formula | C10H17NO2 |
| Molecular Weight | 183.2475 |
| SMILES | COC(C1CCN(C(C)C)C=1C)=O |
| Synonyms | methyl 2-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate,
116195-42-7,
ZINC306622916,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.251g/mol |
| Monoisotopic Mass | 183.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number