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
    4.1312   -0.3283   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0903    0.4850   -0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7269   -0.0219   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6829    0.7693    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6600    0.3144    0.0352 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8116    1.1375    0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8684    2.3492    0.4943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0329    0.3433   -0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5314   -1.0178   -0.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1067   -1.0296   -0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4851   -2.0837    0.1731 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9384   -1.4079   -0.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1444    0.0080   -0.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2927    1.5445   -0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5609   -1.0810   -0.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9032    1.8466    0.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5740    0.8603   -0.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250    0.2868    0.7191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5891   -1.1279   -1.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0868   -1.8468   -0.0372 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