Monomers

2,5-Pyrrolidinedione, 3-methylene-1-(4-methylphenyl)-

Identifiers

IUPAC name
3-methylidene-1-(4-methylphenyl)pyrrolidine-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12(13)15/h3-6H,2,7H2,1H3
InchI Key
CFKWVBVWGCLNHU-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1)N1C(=O)CC(=C)C1=O
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
Isomeric SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.8145
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -4.5895    0.4447    0.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1175    0.2721    0.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -0.2051   -0.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1696   -0.3586   -1.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3086   -0.0405   -0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926    0.4396    1.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2572    0.5933    1.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1003   -0.2031   -0.2103 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8269   -1.1009   -1.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718   -1.6683   -2.0430 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2186   -1.2680   -0.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4325    0.0812    0.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5784    0.7141    0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1029    0.5395    0.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8925    1.4508    1.3513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1016    0.6535   -0.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7601    1.2396    1.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0488   -0.4787    0.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2127   -0.4580   -1.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7441   -0.7369   -2.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2338    0.6907    1.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7115    0.9644    2.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9569   -1.4293   -1.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569   -2.0739    0.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5536    1.6878    0.7298 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    0.2499   -0.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
 12 14  1  0
 14 15  2  0
  7  2  1  0
 14  8  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  6 21  1  0
  7 22  1  0
 11 23  1  0
 11 24  1  0
 13 25  1  0
 13 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers