1-Benzyloctahydropyrrolo[3,4-b]pyrrole - CAS 132414-50-7
Catalog: |
BB073629 |
Product Name: |
1-Benzyloctahydropyrrolo[3,4-b]pyrrole |
CAS: |
132414-50-7 |
Synonyms: |
1-Benzyloctahydropyrrolo[3,4-b]pyrrole; 1-BENZYL-OCTAHYDRO-PYRROLO[3,4-B]PYRROLE; 1-Benzylhexahydropyrrolo[3,4-b]pyrrole; 1-Benzyl-octahydropyrrolo[3,4-b]pyrrole; Pyrrolo[3,4-b]pyrrole, octahydro-1-(phenylmethyl)-; 1-benzyl-octahydropyrrolo[2,3-c]pyrrole; 1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole |
IUPAC Name: | 1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole |
Molecular Weight: | 202.3 |
Molecular Formula: | C13H18N2 |
Canonical SMILES: | C1CN(C2C1CNC2)CC3=CC=CC=C3 |
InChI: | InChI=1S/C13H18N2/c1-2-4-11(5-3-1)10-15-7-6-12-8-14-9-13(12)15/h1-5,12-14H,6-10H2 |
InChI Key: | LODPYENASSOOBD-UHFFFAOYSA-N |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.146998583 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.146998583 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 15.3Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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