Name: Name:1-OCTYL-PYRROLE-2,5-DIONE
Brand: Angene
SKU: AG00C9DV
Rating: 90 (10 reviews)

1-OCTYL-PYRROLE-2,5-DIONE

CAS No.:

4080-76-6

Catalog Number:

AG00C9DV

Molecular Formula:

C12H19NO2

Molecular Weight:

209.2848

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Product Description

Catalog Number:

AG00C9DV

Chemical Name:

1-OCTYL-PYRROLE-2,5-DIONE

CAS Number:

4080-76-6

Molecular Formula:

C12H19NO2

Molecular Weight:

209.2848

MDL Number:

MFCD00449458

IUPAC Name:

1-octylpyrrole-2,5-dione

InChI:

InChI=1S/C12H19NO2/c1-2-3-4-5-6-7-10-13-11(14)8-9-12(13)15/h8-9H,2-7,10H2,1H3

InChI Key:

KIKBJYQCJJXCBZ-UHFFFAOYSA-N

SMILES:

CCCCCCCCN1C(=O)C=CC1=O

Properties

Complexity:

240

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

209.289g/mol

Monoisotopic Mass:

209.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8

Literature

Title	Journal
Twisted, Z-shaped perylene bisimide.	Journal of the American Chemical Society 20060125
Small-molecule modulators of Hedgehog signaling: identification and characterization of Smoothened agonists and antagonists.	Journal of biology 20020101
Design, synthesis, and biochemical evaluation of N-substituted maleimides as inhibitors of prostaglandin endoperoxide synthases.	Journal of medicinal chemistry 19960412