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
   -4.6118    0.1331    0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1224    0.0806    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3388    1.1632   -0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9421    1.0838   -0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3196   -0.1305   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0763   -1.2154    0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4682   -1.1020    0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1237   -0.2010   -0.1382 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8828   -1.3852   -0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -2.6085   -0.2741 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3155   -1.0306   -0.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3694    0.4262   -0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4248    1.2255   -0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9831    0.9177   -0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911    2.1638   -0.0331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0301   -0.8085   -0.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8556    0.2425    1.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9591    0.9796   -0.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8630    2.0973   -0.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3976    1.9874   -0.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6116   -2.1857    0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0282   -2.0006    0.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8832   -1.5307    0.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7850   -1.3706   -1.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3114    2.2859   -0.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3991    0.7828   -0.1831 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