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
    4.5615    0.4181    0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0694    0.2519    0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3233    1.2770   -0.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9610    1.1000   -0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3321   -0.0610   -0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827   -1.0858    0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4453   -0.9106    0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0714   -0.2146   -0.3330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -1.1809   -1.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985   -2.1562   -1.7378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1722   -0.8426   -1.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4100    0.1055   -0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5413    0.4841    0.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0799    0.5706    0.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7923    1.5088    1.1112 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9181   -0.4158    0.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8021    1.3501    0.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0372    0.3538   -0.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    2.1887   -0.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3390    1.9023   -1.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5601   -1.9789    0.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0387   -1.7353    0.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4636   -0.4398   -2.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7778   -1.7623   -0.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4722    0.0874    0.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5566    1.1856    1.2768 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