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
    4.3049   -0.3053   -0.1378 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5596   -0.3877   -0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7903    0.1559    0.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3823    0.0483    0.4595 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4337   -1.0796    0.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1456   -1.9626    1.5990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6230   -0.9640   -0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7719    0.4828   -0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8697    1.1970   -0.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4066    1.0418   -0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0460    2.1820   -0.6059 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2342    0.2213   -1.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2725   -1.4339   -0.6484 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1171    1.1847    0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0827   -0.4521    1.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200   -1.3924   -1.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5126   -1.4652    0.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8171    2.2663   -0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7974    0.6626   -0.5527 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