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
   -4.1935    0.5515   -1.2007 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5301    0.0170   -1.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7995    0.8008    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4411    0.2917    0.1556 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230   -0.7633    0.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5777   -1.1708    2.0207 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3110   -1.2596    0.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8416   -0.0080   -0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1225    0.2977   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6836    0.7826   -0.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6864    1.7113   -1.4529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4804   -1.0543   -0.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9519    0.1329   -1.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8366    1.8889   -0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2938    0.5828    1.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1227   -1.9589   -0.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9823   -1.6788    1.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8854   -0.3835    0.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4460    1.2199   -0.7963 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