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
   -4.0465   -0.4013   -0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0622    0.4083   -0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6738   -0.0600   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6908    0.7535    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6662    0.3328    0.0682 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7761    1.1986    0.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6940    2.3745    0.8412 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9913    0.4115    0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5161   -1.0138    0.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1723   -0.9671   -0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6294   -1.9027   -0.8237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8374   -1.4287   -0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0562   -0.0534   -0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3150    1.4475   -0.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5027   -1.1000   -0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9425    1.7867    0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2233    0.4521   -0.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8477    0.6655    0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1929   -1.7447   -0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4176   -1.1592    1.5156 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