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
   -2.6256   -1.6041    0.5742 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6339   -0.3085   -0.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7994    0.8205   -0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4361    0.4078    0.1467 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0956   -0.1323    1.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4032   -0.0090    2.5109 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338   -0.8552    0.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8284   -0.0173   -0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0817    0.2204   -0.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6121    0.4918   -0.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5842    0.9093   -2.0019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2129   -0.6725   -1.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6667    0.0442   -0.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7934    1.6897   -0.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2582    1.1625    0.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0626   -0.9354    1.7865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0045   -1.8525    0.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3234    0.8502   -1.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.2095    0.0399 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