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
   -4.5648    0.3182   -0.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0731    0.1885   -0.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2309    0.0728   -1.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.0469   -1.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3169   -0.0492   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1507    0.0664    1.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5256    0.1851    0.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0785   -0.1685    0.1411 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6930   -1.2523    0.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2010   -2.3621    1.1763 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -0.8928    1.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4009    0.1668    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5344   -0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1152    0.7141   -0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9165    1.7774   -0.9535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8540    1.3747   -0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7749    0.1764   -1.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1152   -0.3588    0.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6596    0.0764   -2.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2747   -0.1313   -2.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6913    0.0608    2.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1710    0.2750    1.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937   -1.7446    1.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1531   -0.4685    2.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5026    0.0704    0.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    1.3192   -1.0512 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