Monomers

1-(2-Chloroethyl)-3-methylidenepyrrolidine-2,5-dione

Identifiers

IUPAC name
1-(2-chloroethyl)-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C7H8ClNO2/c1-5-4-6(10)9(3-2-8)7(5)11/h1-4H2
InchI Key
RQMCNOJWPMUAKJ-UHFFFAOYSA-N
SMILES
ClCCN1C(=O)CC(=C)C1=O
Canonical SMILES
C=C1CC(=O)N(C1=O)CCCl
Isomeric SMILES
C=C1CC(=O)N(C1=O)CCCl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H8ClNO2
Heavy Atom Count
11
Molecular Weight
173.599
Exact Molecular Weight
173.0244
Valence Electrons
60
Radical Electrons
0
tPSA
37.38
MolLogP
0.5403
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

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.5787    0.0905   -1.9767 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7490    0.2163   -0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7940   -0.6839    0.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172   -0.4002    0.2350 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3589   -0.9868   -0.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0972   -2.0335   -1.4796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5864   -0.1939   -1.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7811    0.4661    0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8972    0.9408    0.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4643    0.4943    0.9003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555    1.2149    1.8907 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    1.2716    0.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7768   -0.0784    0.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0318   -1.7396    0.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0298   -0.6417    1.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4509    0.6022   -1.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4578   -0.8287   -1.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8840    1.3999    1.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8467    0.8903    0.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  3
  8 10  1  0
 10 11  2  0
 10  4  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  7 16  1  0
  7 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers