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
    4.5961   -0.1943    0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119   -0.1439    0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    0.6872    0.9189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0519    0.7433    0.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3076   -0.0228   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116   -0.8484   -0.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3883   -0.9029   -0.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1153    0.0565   -0.0306 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8454    1.0760   -0.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3735    2.2125   -1.0257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1898    0.4961   -1.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4237   -0.2511    0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5491   -0.4064    0.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0907   -0.7769    0.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8604   -1.7850    1.2980 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9753   -0.0568    1.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9745   -1.1162   -0.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9370    0.7085   -0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0040    1.2774    1.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5093    1.4046    1.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4102   -1.4412   -1.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9007   -1.5737   -1.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9414    1.2797   -1.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0863   -0.2315   -1.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4667    0.0503    0.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6637   -0.9551    1.7994 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