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
    4.1996    1.0918   -0.4787 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6146    0.3159   -0.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7427    0.6929    0.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4242    0.1355    0.3414 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0565   -1.1123    0.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5894   -1.8806    1.5801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265   -1.3576    0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8418   -0.0386   -0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586    0.3238   -0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677    0.8140   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6176    1.9414   -0.8601 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7436   -0.8008   -0.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1388    0.6372   -1.6735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2249    0.3761    1.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6572    1.7923    0.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1166   -1.7283    1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4327   -2.1362   -0.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2468    1.3042   -0.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8704   -0.3706   -0.4208 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