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
   -2.4163    1.0038   -0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2652    0.3584   -0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0795   -1.0841    0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3315   -1.0902    0.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7802   -1.9021    1.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0453   -0.0275    0.0304 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0503    0.8791   -0.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2490    1.9504   -1.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4853    0.1022   -0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3601    0.5547    0.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4046    2.0556   -0.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1534   -1.7014   -0.7809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7928   -1.4920    0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9178    0.6177    0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9242   -0.9188   -0.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6883    0.6944   -0.9994 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