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
   -4.6061   -0.1613    0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1222   -0.1535    0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5433   -0.5690   -0.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1649   -0.5603   -1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3104   -0.1458   -0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9052    0.2710    1.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759    0.2629    1.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1074   -0.1210   -0.2528 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9409   -1.1989   -0.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5823   -2.3525   -1.0398 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3770   -0.8118   -0.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    0.6337   -0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4011    1.4665   -0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9646    0.9825    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5354    2.1044    0.3854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9980    0.8168   -0.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8686   -0.2403    1.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0480   -0.9649   -0.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1917   -0.9073   -1.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6937   -0.8905   -2.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2424    0.6033    1.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7485    0.5874    2.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9115   -0.9212   -1.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9213   -1.3857    0.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    2.4980    0.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4066    1.1575   -0.2932 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