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
    4.5955    0.0059    0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1047    0.0362    0.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3410    0.2666    1.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9659    0.2812    1.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2980    0.0617    0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0550   -0.1742   -0.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263   -0.1856   -0.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1264    0.0667    0.0611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8495    1.0576   -0.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4255    1.7993   -1.6031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2344    1.0014   -0.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3891   -0.4462    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4824   -1.1824    0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0409   -0.8706    0.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8074   -1.8704    1.3282 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9644    0.0115    1.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9608   -0.9058   -0.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9069    0.9242   -0.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8908    0.4366    2.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4229    0.4678    2.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5601   -0.3517   -1.9091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0431   -0.3675   -1.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3177    1.5891    0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9528    1.3202   -0.8778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4137   -0.7440   -0.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4954   -2.2273    0.3568 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