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
   -2.3542    0.9300    0.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2432    0.3609    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0843   -0.9897   -0.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3098   -1.3465   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8033   -2.5029    0.0820 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0066   -0.1125    0.0018 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0730    0.9770    0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3557    2.2088    0.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    0.1060    0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3287    0.4372    0.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3423    1.9318    0.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2185   -0.9239   -1.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7800   -1.7298   -0.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0071   -0.7669   -0.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    0.4512    1.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6346    0.9692   -0.6627 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