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
   -4.5718    0.4753   -0.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0902    0.3381   -0.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3952    0.9747    0.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0302    0.8274    0.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902    0.0407   -0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0238   -0.5860   -1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3738   -0.4491   -1.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1080   -0.1104   -0.0535 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7374   -0.8209    1.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2012   -0.9633    2.1534 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0734   -1.3038    0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4573   -0.0800   -0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6451    0.4327   -0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1903    0.3482   -0.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0757    1.0133   -1.9130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0517   -0.5085   -0.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0581    0.8208    0.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8045    1.1575   -1.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9544    1.5981    1.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4612    1.3163    1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4742   -1.2134   -1.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9594   -0.9340   -2.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7734   -1.5416    1.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8952   -2.1042   -0.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4923   -0.0329    0.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8897    1.3052   -0.9549 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