Ethyl 8-Oxo-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-2-carboxylate - CAS 1979149-35-3
Catalog: |
BB015298 |
Product Name: |
Ethyl 8-Oxo-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-2-carboxylate |
CAS: |
1979149-35-3 |
Synonyms: |
8-oxo-4,5,6,7-tetrahydro-1H-cyclohepta[b]pyrrole-2-carboxylic acid ethyl ester; ethyl 8-oxo-4,5,6,7-tetrahydro-1H-cyclohepta[b]pyrrole-2-carboxylate |
IUPAC Name: | ethyl 8-oxo-4,5,6,7-tetrahydro-1H-cyclohepta[b]pyrrole-2-carboxylate |
Description: | Ethyl 8-Oxo-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-2-carboxylate (CAS# 1979149-35-3 ) is a useful research chemical. |
Molecular Weight: | 221.25 |
Molecular Formula: | C12H15NO3 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C(=O)CCCC2 |
InChI: | InChI=1S/C12H15NO3/c1-2-16-12(15)9-7-8-5-3-4-6-10(14)11(8)13-9/h7,13H,2-6H2,1H3 |
InChI Key: | PPHLXUGBYPBUDO-UHFFFAOYSA-N |
LogP: | 2.10050 |
Publication Number | Title | Priority Date |
WO-2016185348-A1 | 4,5,6,9-tetrahydropyrrolo[2',3':3,4]cyclohepta[1,2-d] isoxazole, process for their production and their uses as antitumor agents | 20150515 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.10519334 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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