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
   -4.5952   -0.0719   -0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0996   -0.0818   -0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3896   -1.2406   -0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0094   -1.2251   -0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2807   -0.0687   -0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0149    1.1117    0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4047    1.0817    0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1312   -0.0880    0.0082 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9408   -1.2069    0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6935   -2.4151    0.3063 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2664   -0.6454    0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3731    0.4896   -0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4460    0.9519   -0.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9929    0.9997   -0.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6940    2.1711   -0.6684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0233    0.6307    0.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8361    0.3721   -1.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9990   -1.0874   -0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9589   -2.1648   -0.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5243   -2.1825   -0.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    2.0219    0.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9260    2.0045    0.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0721   -1.3803    0.6637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207   -0.2955    1.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4287    0.5315   -0.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3555    1.7873   -1.4401 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