Monomers

1-Buta-1,3-dienylpyrrolidine-2,5-dione

Identifiers

IUPAC name
1-buta-1,3-dienylpyrrolidine-2,5-dione
InchI
InChI=1S/C8H9NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h2-3,6H,1,4-5H2
InchI Key
RWLJMKQXDUTHCU-UHFFFAOYSA-N
SMILES
C=CC=CN1C(=O)CCC1=O
Canonical SMILES
C=CC=CN1C(=O)CCC1=O
Isomeric SMILES
C=CC=CN1C(=O)CCC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H9NO2
Heavy Atom Count
11
Molecular Weight
151.165
Exact Molecular Weight
151.0633
Valence Electrons
58
Radical Electrons
0
tPSA
37.38
MolLogP
0.8351
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.3185    0.4085   -0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0544    0.0978   -0.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -1.1080    0.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4974   -1.4608    0.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5882   -0.6327    0.3185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729    0.7205    0.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1377    1.2434    1.6582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7968    1.3635   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5561    0.2215   -0.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6706   -0.9490   -0.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8766   -2.0606   -1.0759 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1464   -0.2096   -0.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5789    1.3041   -1.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2825    0.7913   -0.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5270   -1.7475    0.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2836   -2.3742    1.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4467    1.9621    0.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3077    1.9702   -0.9421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7558    0.3790   -1.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5105    0.0805   -0.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10  5  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  4 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers