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
    3.8464    0.8035    1.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0518    0.0099    0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6374    0.2835    0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8281   -0.5249   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5569   -0.3069   -0.5111 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4787   -1.1211   -1.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1387   -2.1667   -1.8367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8474   -0.5170   -1.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7026    0.2298    0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082    0.7682    0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8982    1.9116    0.3636 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9075    0.6192    1.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4562    1.6668    1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4472   -0.8528   -0.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2478    1.1560    0.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2775   -1.3900   -0.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6404   -1.2611   -1.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9267    0.2082   -1.9631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4470    1.0274    0.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7548   -0.5435    0.9992 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