Monomers

1-Methyl-3-methylidenepyrrolidine-2,5-dione

Identifiers

IUPAC name
1-methyl-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C6H7NO2/c1-4-3-5(8)7(2)6(4)9/h1,3H2,2H3
InchI Key
QSWFISOPXPJUCT-UHFFFAOYSA-N
SMILES
C=C1CC(=O)N(C1=O)C
Canonical SMILES
CN1C(=O)CC(=C)C1=O
Isomeric SMILES
CN1C(=O)CC(=C)C1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7NO2
Heavy Atom Count
9
Molecular Weight
125.127
Exact Molecular Weight
125.0477
Valence Electrons
48
Radical Electrons
0
tPSA
37.38
MolLogP
-0.0687
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.3894   -1.0514   -0.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2579   -0.4263   -0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1117    1.0610   -0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3584    1.2656   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8731    2.4145   -0.2993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0137    0.0307    0.0960 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0812   -1.0158    0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2845   -2.2251    0.2515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4475   -0.1089    0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2901   -0.5020   -0.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4041   -2.1187   -0.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6060    1.5355   -0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4796    1.4510    0.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8001   -1.0876   -0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9505    0.7110   -0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7298    0.0666    1.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  7  2  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers