| CAS Number | 1346674-20-1 |
| Catalog Number | AG01AUG9 |
| Chemical Name | Ethyl 5,5-Dimethyl-1H,4H,5H,6H-Cyclopenta[b]Pyrrole-2-Carboxylate |
| IUPAC Name | ethyl 5,5-dimethyl-4,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate |
| InChI | InChI=1S/C12H17NO2/c1-4-15-11(14)9-5-8-6-12(2,3)7-10(8)13-9/h5,13H,4,6-7H2,1-3H3 |
| InChI Key | FFRSZAKIQKRQED-UHFFFAOYSA-N |
| MDL Number | MFCD24619428 |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| SMILES | CC1(CC2=C(NC(=C2)C(=O)OCC)C1)C |
| Synonyms | 1346674-20-1,
Ethyl 5,5-Dimethyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate,
ethyl 5,5-dimethyl-1H,4H,5H,6H-cyclopenta[b]pyrrole-2-carboxylate,
SCHEMBL10289558,
FFRSZAKIQKRQED-UHFFFAOYSA-N,
MFCD24619428,
ZINC203903090,
AS-36684,
CS-0057963,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.273g/mol |
| Monoisotopic Mass | 207.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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