5-Benzyl-2-methyl-tetrahydro-pyrrolo[3,4-c]pyrrole-1,3-dione - CAS 165893-95-8
Catalog: |
BB073926 |
Product Name: |
5-Benzyl-2-methyl-tetrahydro-pyrrolo[3,4-c]pyrrole-1,3-dione |
CAS: |
165893-95-8 |
Synonyms: |
5-Benzyl-2-methyl-octahydropyrrolo[3,4-c]pyrrole-1,3-dione; 5-benzyl-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione; 5-benzyl-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione; 5-benzyl-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione |
IUPAC Name: | 5-benzyl-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione |
Molecular Weight: | 244.29 |
Molecular Formula: | C14H16N2O2 |
Canonical SMILES: | CN1C(=O)C2CN(CC2C1=O)CC3=CC=CC=C3 |
InChI: | InChI=1S/C14H16N2O2/c1-15-13(17)11-8-16(9-12(11)14(15)18)7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3 |
InChI Key: | VEDOXGOCEIAQKN-UHFFFAOYSA-N |
Complexity: | 339 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.121177757 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.6Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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