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
    2.5805    0.5493   -0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3331    0.1508    0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8337   -1.1283    0.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5755   -1.2108    0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2748   -2.2599    0.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0197    0.0941   -0.1688 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1385    0.9159   -0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0841    2.1612   -0.4841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3954    0.5170   -0.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4225   -0.0563    0.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7692    1.5169   -0.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763   -1.1217    1.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4675   -1.9305    0.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9922   -0.3817   -0.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3716    1.2387   -1.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8763    0.9452    0.4627 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