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
    4.5032    0.7465    0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0377    0.4573    0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1927    1.2158    1.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8496    0.9201    0.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3476   -0.0773    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851   -0.8180   -0.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5537   -0.5375   -0.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0562   -0.3209    0.1087 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6561   -1.5728    0.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0670   -2.6269    0.6924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1361   -1.4710    0.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3931   -0.0296   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5714    0.5518   -0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0948    0.6303   -0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8678    1.8314   -0.4174 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    0.9537    1.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1153   -0.0668   -0.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6585    1.6408   -0.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5914    1.9884    1.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1835    1.5189    1.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7774   -1.5955   -1.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2095   -1.1457   -1.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6136   -1.8051    1.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4651   -2.0281   -0.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5883    1.6166   -0.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5001    0.0237   -0.1461 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