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
   -4.5622    0.4342    0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1084    0.2040    0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2917    1.3170    0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9385    1.1661    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3201   -0.0841   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1442   -1.1830    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5256   -1.0490    0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0973   -0.1565   -0.2001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8311    0.0619   -1.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2274    0.1148   -2.5210 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    0.2019   -1.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3960   -0.3612    0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5444   -0.6982    0.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0471   -0.4164    0.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8012   -0.6566    2.0361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8152    1.3978   -0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1516   -0.3897    0.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8116    0.6245    1.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7703    2.2863    0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3047    2.0269   -0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7245   -2.1828    0.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1795   -1.8971    0.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9395   -0.3492   -1.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4995    1.2730   -1.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4697   -0.5830    0.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5350   -1.1015    1.8372 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