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
    4.5888    0.2823    0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    0.1007    0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2895    1.2003    0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9093    1.0736    0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3145   -0.1547    0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1374   -1.2525   -0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5260   -1.1302   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1051   -0.2190    0.0034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9424   -1.1898    0.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6143   -2.0810    1.4447 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3372   -1.0302    0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3577    0.3108   -0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4059    1.0329   -0.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9835    0.6962   -0.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5175    1.6940   -1.3186 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8234    1.3610    0.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9206   -0.0778    1.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1073   -0.3187   -0.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7489    2.1815    0.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2692    1.9438    0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7080   -2.2125   -0.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1689   -1.9957   -0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0466   -1.0531    0.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6177   -1.7956   -0.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3855    0.6224   -0.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3017    2.0112   -1.2844 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