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
    4.6082   -0.2287   -0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1243   -0.2018   -0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5015    0.6713    0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1113    0.7350    0.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2975   -0.0637   -0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9224   -0.9331   -1.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3109   -1.0068   -1.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183    0.0334   -0.2609 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0036   -0.0943   -1.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7082    0.0156   -2.6192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3457   -0.3825   -0.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3116    0.3245    0.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3636    0.8660    1.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9090    0.2896    0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5304    0.4654    2.0829 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0164    0.4227    0.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9212    0.1915   -1.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0082   -1.2453   -0.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0904    1.3177    0.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    1.4083    1.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2981   -1.5786   -1.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7738   -1.6977   -2.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1557   -0.0114   -1.5058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5156   -1.4737   -0.6256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958    1.3729    2.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3405    0.8039    0.6427 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