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
    4.5462    0.2158   -0.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0803    0.1550   -0.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3378    1.2840   -0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9839    1.1958    0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043   -0.0031   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0413   -1.1305   -0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033   -1.0476   -0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1048   -0.0361    0.2709 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6872   -0.0183    1.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1195   -0.3636    2.6248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0680    0.4765    1.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4358   -0.0912    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6316   -0.4916   -0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1868   -0.0826   -0.6527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0832   -0.1113   -1.9017 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8252   -0.2077   -1.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1073   -0.3736   -0.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8949    1.2630   -0.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581    2.2390   -0.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3883    2.0838    0.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621   -2.0992   -0.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0097   -1.9212   -0.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7010    0.1204    2.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0106    1.5797    1.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4601   -0.4200    0.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8540   -0.8909   -1.2377 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