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
   -4.5983   -0.0182   -0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172   -0.0125   -0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4755   -0.5370    1.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0979   -0.5095    1.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3045    0.0273    0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9496    0.5514   -1.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3281    0.5250   -1.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1139    0.0406    0.1779 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8782    0.1515    1.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4807    0.5910    2.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2373   -0.3459    1.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3738   -0.0058   -0.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5109    0.2728   -1.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0147   -0.0574   -0.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7533   -0.1700   -2.1540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0489    0.1279    0.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9704    0.8375   -0.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9968   -0.9852   -0.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0407   -0.9618    1.8102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5505   -0.9155    1.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3527    0.9824   -1.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053    0.9429   -1.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0207    0.1363    1.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517   -1.4503    1.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5560    0.5148   -2.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4453    0.2679   -0.4689 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