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
    3.9625   -0.4673    0.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0562    0.3726    0.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -0.0450    0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7480    0.7829   -0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6017    0.3782   -0.2655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4671   -0.1481    0.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0999   -0.7277    1.8044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8528    0.1293    0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7166   -0.1248   -1.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3579    0.4153   -1.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9031    0.8410   -2.5915 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9831   -0.1534    1.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7584   -1.5110    1.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3254    1.3961    0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3564   -1.0812    0.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0688    1.8172   -0.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6057   -0.4925    0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0566    1.2276    0.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4967    0.4316   -1.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7749   -1.2155   -1.3733 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