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
    4.5715   -0.0460    0.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0926   -0.0333    0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3937    0.4576    1.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0187    0.4559    1.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3015   -0.0226    0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0133   -0.5076   -0.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3938   -0.5214   -0.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1152   -0.0340    0.1522 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8615   -0.8934    1.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3978   -1.8026    1.7888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3206   -0.5554    0.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3309    0.3670   -0.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4062    0.8012   -0.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9692    0.7461   -0.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6279    1.6125   -1.5281 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842   -1.1150    0.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9669    0.2116   -0.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0037    0.5971    0.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108    0.8427    2.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4412    0.8394    2.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4240   -0.8829   -1.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9214   -0.9156   -1.8399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8768   -1.4822    0.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6642   -0.0939    1.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4147    0.4996   -0.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3524    1.4752   -1.7599 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