6-Bromospiro[3H-indole-3,4'-piperidin]-2(1H)-one - CAS 1160248-48-5
Catalog: |
BB074075 |
Product Name: |
6-Bromospiro[3H-indole-3,4'-piperidin]-2(1H)-one |
CAS: |
1160248-48-5 |
Synonyms: |
6-bromospiro[indoline-3,4'-piperidin]-2-one; 6-bromospiro[1H-indole-3,4'-piperidine]-2-one |
IUPAC Name: | 6-bromospiro[1H-indole-3,4'-piperidine]-2-one |
Molecular Weight: | 281.15 |
Molecular Formula: | C12H13BrN2O |
Canonical SMILES: | C1CNCCC12C3=C(C=C(C=C3)Br)NC2=O |
InChI: | InChI=1S/C12H13BrN2O/c13-8-1-2-9-10(7-8)15-11(16)12(9)3-5-14-6-4-12/h1-2,7,14H,3-6H2,(H,15,16) |
InChI Key: | HWGIUTMXUBNHHS-UHFFFAOYSA-N |
References: | Achab, A. A., et al. PCT Int. Appl. 214pp. (2017). |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.02113 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.02113 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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