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
   -2.4671    1.9033   -0.8883 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7224    0.3908    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8042   -0.6962   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4128   -0.3464   -0.3347 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454    0.3185   -1.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2206    0.4818   -2.4871 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6616    0.8029   -0.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7427   -0.1300    0.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8163   -0.4567    1.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3695   -0.6304    0.8149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0139   -1.2133    1.8814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7641    0.0698   -0.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5613    0.6134    1.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0179   -1.5980    0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0771   -0.9739   -1.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4530    1.8472   -0.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    0.7822   -1.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7703   -1.1450    2.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690   -0.0200    1.0534 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