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
    1.8184    0.2712    2.3415 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6003    0.2483    0.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8592   -0.7189   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4763   -0.3075   -0.2995 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0479    0.5607   -1.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4561    0.8320   -2.4181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3253    1.0952   -0.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8181   -0.0728    0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0642   -0.4416    0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5967   -0.7126    0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5692   -1.4787    1.5503 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5616    1.2428    0.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6474   -0.1144    0.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8632   -1.7158    0.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3782   -0.7997   -1.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0648    1.9219   -0.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0343    1.4075   -1.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2409   -1.3084    0.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8994    0.0908   -0.1484 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