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
    4.3451    0.2934   -0.2231 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6015    0.5215   -0.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8569   -0.7326    0.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466   -0.4041    0.2078 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2797    0.1460    1.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0200    0.1728    2.5264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5496    0.7388    0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7896   -0.0929   -0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9740   -0.3119   -0.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4783   -0.5501   -0.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2234   -1.0064   -2.0186 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1865    0.7950   -1.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3047    1.3158    0.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483   -0.9267    1.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900   -1.5892   -0.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4259    1.8029    0.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3762    0.6530    1.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8665    0.0976   -0.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0363   -0.9229   -1.8706 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