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
    4.1066    0.3554    0.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8952    0.1437    0.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5089   -0.0986    0.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8141    0.2881   -0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5881    0.0825   -0.3877 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3547    0.4671   -1.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8431    0.8457   -2.6606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7764    0.3320   -1.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7600   -0.8195   -0.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5011   -0.5092    0.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3281   -0.7499    1.7394 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445    0.1413    1.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6074    0.8736    0.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9444   -0.4605    2.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9148   -0.5735    1.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3599    0.7702   -1.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0729    1.2816   -0.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4212    0.1015   -2.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7422   -1.7768   -0.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6080   -0.6948    0.4849 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