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
   -2.4434    0.9865   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2856    0.3473   -0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0536   -1.1126   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214   -1.1431    0.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7549   -2.0464    1.3382 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0356   -0.0192    0.0505 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0386    0.9092   -0.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2464    2.0515   -0.9027 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4762    0.1340    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4843    2.0637   -0.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3766    0.4941    0.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0396   -1.6224   -1.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7959   -1.5973    0.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8212    0.6740   -0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8432    0.7455    0.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9413   -0.8649    0.1321 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