tert-Butyl 5-Oxohexahydro-1H-isoindole-2(3H)-carboxylate - CAS 203661-68-1
Catalog: |
BB015853 |
Product Name: |
tert-Butyl 5-Oxohexahydro-1H-isoindole-2(3H)-carboxylate |
CAS: |
203661-68-1 |
Synonyms: |
6-oxo-3,3a,4,5,7,7a-hexahydro-1H-isoindole-2-carboxylic acid tert-butyl ester; tert-butyl 6-oxo-3,3a,4,5,7,7a-hexahydro-1H-isoindole-2-carboxylate |
IUPAC Name: | tert-butyl 6-oxo-3,3a,4,5,7,7a-hexahydro-1H-isoindole-2-carboxylate |
Description: | tert-Butyl 5-Oxohexahydro-1H-isoindole-2(3H)-carboxylate (CAS# 203661-68-1) is a useful research chemical. |
Molecular Weight: | 239.31 |
Molecular Formula: | C13H21NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2CCC(=O)CC2C1 |
InChI: | InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-7-9-4-5-11(15)6-10(9)8-14/h9-10H,4-8H2,1-3H3 |
InChI Key: | KEEXIHAGXWAFOF-UHFFFAOYSA-N |
LogP: | 2.16040 |
Publication Number | Title | Priority Date |
EP-3122729-A1 | Substituted heteroaryl compounds and methods of use | 20140328 |
EP-3312164-A1 | Substituted heteroaryl compounds and methods of use | 20140328 |
JP-2017510642-A | Substituted heteroaryl compounds and methods of use | 20140328 |
JP-6517318-B2 | Substituted heteroaryl compounds and methods of use | 20140328 |
US-2015274704-A1 | Substituted heteroaryl compounds and methods of use | 20140328 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.15214353 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.15214353 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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