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
    4.3934    0.9519    0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128    0.4217    0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    0.1294   -1.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0891   -0.2788   -1.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3408   -0.4035   -0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9757   -0.1048    1.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2795    0.3056    1.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0700   -0.6522   -0.0961 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -1.8047   -0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3703   -2.9651   -0.3471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2687   -1.4672    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3252    0.0705   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4434    0.6734   -0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9623    0.4820   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4939    1.6510    0.0400 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3755    1.9582    0.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1069    0.2982    0.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    1.2580   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0380    0.2261   -2.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6876   -0.5173   -2.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3606   -0.2208    2.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7890    0.5486    2.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9467   -1.8405   -0.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7088   -1.7860    0.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8904    1.9334   -0.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3012    1.1328   -0.1798 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