2-Benzylhexahydrocyclopenta[c]pyrrol-4(1H)-one - CAS 185692-51-7
Catalog: |
BB014242 |
Product Name: |
2-Benzylhexahydrocyclopenta[c]pyrrol-4(1H)-one |
CAS: |
185692-51-7 |
Synonyms: |
2-benzyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one |
IUPAC Name: | 2-benzyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one |
Description: | 2-Benzylhexahydrocyclopenta[c]pyrrol-4(1H)-one (CAS# 185692-51-7) is a useful research chemical. |
Molecular Weight: | 215.29 |
Molecular Formula: | C14H17NO |
Canonical SMILES: | C1CC(=O)C2C1CN(C2)CC3=CC=CC=C3 |
InChI: | InChI=1S/C14H17NO/c16-14-7-6-12-9-15(10-13(12)14)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2 |
InChI Key: | DLTLETIGPVMJIX-UHFFFAOYSA-N |
Boiling Point: | 336.682 °C at 760 mmHg |
Purity: | 96 % |
Density: | 1.14 g/cm3 |
MDL: | MFCD06658339 |
LogP: | 2.03540 |
Publication Number | Title | Priority Date |
AU-2016303558-A1 | Dopamine D3 receptor antagonists having a bicyclo moiety | 20150805 |
CA-2992820-A1 | Dopamine d3 receptor antagonists having a bicyclo moiety | 20150805 |
EP-3331886-A1 | Dopamine d3 receptor antagonists having a bicyclo moiety | 20150805 |
US-10273244-B2 | Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators | 20150805 |
US-10584135-B2 | Substituted 3,6-diazabicyclo[3.2.0]heptanes | 20150805 |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.131014166 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.3 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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