(2E,6E)-7-(1,3-Benzodioxol-5-yl)-1-(1-pyrrolidinyl)-2,6-heptadien-1-one

CAS Registry Number®

112448-68-7

CAS Name

(2E,6E)-7-(1,3-Benzodioxol-5-yl)-1-(1-pyrrolidinyl)-2,6-heptadien-1-one

Molecular Formula

C18H21NO3

Molecular Mass

299.36

Cite this Page

(2E,6E)-7-(1,3-Benzodioxol-5-yl)-1-(1-pyrrolidinyl)-2,6-heptadien-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=112448-68-7 (retrieved 2024-11-22) (CAS RN: 112448-68-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    77-79 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H21NO3/c20-18(19-11-5-6-12-19)8-4-2-1-3-7-15-9-10-16-17(13-15)22-14-21-16/h3-4,7-10,13H,1-2,5-6,11-12,14H2/b7-3+,8-4+

InChIKey

InChIKey=RUXALYXWBMBHLF-FCXRPNKRSA-N

SMILES

C(=C/CC/C=C/C(=O)N1CCCC1)\C=2C=C3C(=CC2)OCO3

Canonical SMILES

O=C(C=CCCC=CC1=CC=C2OCOC2=C1)N3CCCC3

Other Names for this Substance

  • 2,6-Heptadien-1-one, 7-(1,3-benzodioxol-5-yl)-1-(1-pyrrolidinyl)-, (2E,6E)-
  • Pyrrolidine, 1-[7-(1,3-benzodioxol-5-yl)-1-oxo-2,6-heptadienyl]-, (E,E)-
  • Pyrrolidine, 1-[(2E,6E)-7-(1,3-benzodioxol-5-yl)-1-oxo-2,6-heptadienyl]-
  • (2E,6E)-7-(1,3-Benzodioxol-5-yl)-1-(1-pyrrolidinyl)-2,6-heptadien-1-one
  • Sarmentosine (amide)

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration