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
   -4.6034   -0.2562   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1088   -0.2182   -0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3824   -1.3578   -0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9866   -1.3248   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2948   -0.1711   -0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448    0.9467    0.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4332    0.9506    0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -0.1206   -0.0756 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0350   -1.1335   -0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7126   -2.2041   -1.1002 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4025   -0.7593   -0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3432    0.6784    0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3020    1.5816    0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    1.0009    0.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5353    2.1400    0.7603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9453   -0.8647    0.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9719    0.7896    0.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0121   -0.5603   -1.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9470   -2.2519   -0.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4711   -2.2403   -0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6026    1.9117    0.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793    1.8569    0.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7668   -1.3282    0.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1587   -0.9394   -0.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3339    1.2577    0.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1243    2.6164    0.4101 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