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
   -4.5623   -0.2637    0.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0874   -0.1816    0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2527   -0.3730    1.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9042   -0.2884    1.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350   -0.0275   -0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1868    0.1627   -1.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5508    0.0840   -0.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    0.0489   -0.2654 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8256    0.6166   -1.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3737    1.4019   -2.1773 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2445    0.1457   -1.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4254   -0.1925    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5194   -0.2590    0.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0476   -0.4513    0.6388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8700   -1.0480    1.7394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9737   -1.1683   -0.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7744   -0.3631    1.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0085    0.6660    0.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6473   -0.5847    2.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2699   -0.4324    1.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7982    0.3753   -2.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2455    0.2268   -1.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151   -0.7881   -1.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9377    0.9208   -1.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4582   -0.0480    0.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4919   -0.5276    1.9313 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