6-Benzyl-5,7-dioxo-hexahydropyrrolo[3,4-b]pyridine - CAS 1076198-93-0
Catalog: |
BB073699 |
Product Name: |
6-Benzyl-5,7-dioxo-hexahydropyrrolo[3,4-b]pyridine |
CAS: |
1076198-93-0 |
Synonyms: |
3,4-Dihydro-6-(phenylmethyl)-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione |
IUPAC Name: | 6-benzyl-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine-5,7-dione |
Description: | 6-Benzyl-5,7-dioxo-hexahydropyrrolo[3,4-b]pyridine (cas# 1076198-93-0) is a compound useful in organic synthesis. |
Molecular Weight: | 242.27 |
Molecular Formula: | C14H14N2O2 |
Canonical SMILES: | C1CC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC1 |
InChI: | InChI=1S/C14H14N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-3,5-6,15H,4,7-9H2 |
InChI Key: | JJFNYKMZELJLBL-UHFFFAOYSA-N |
Solubility: | Chloroform, Methanol |
Appearance: | Yellow Solid |
Complexity: | 408 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.105527694 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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