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
   -2.4672    0.8677   -0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2683    0.3611    0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9300   -0.8670    0.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4202   -1.2456    0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9219   -2.3860    0.4868 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0236   -0.1163   -0.1857 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0117    0.8668   -0.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1719    2.0324   -0.8578 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    0.0925   -0.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5450    1.7777   -0.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3731    0.4245    0.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8722   -0.5848    1.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6853   -1.6734    0.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916    1.1254   -0.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -0.6851   -0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4386    0.0102   -1.6833 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