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
   -2.2728    1.9672    0.6116 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7419    0.4050   -0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8274   -0.6980    0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4433   -0.4515    0.0881 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2389   -0.8719   -1.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069   -1.2905   -2.1380 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7187   -0.7375   -0.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8001    0.3243    0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8256    1.1341    0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104    0.2793    0.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878    0.8193    1.9699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7742    0.4144   -1.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7564    0.1583    0.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8923   -0.6399    1.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1871   -1.6874    0.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1476   -0.3640   -1.8223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1693   -1.6964   -0.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7858    1.8769    1.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180    1.0581   -0.1770 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