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
   -4.3261    0.6408    0.1125 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5753    0.7331   -0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8991   -0.5949    0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4812   -0.4057    0.0217 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2123   -0.6330   -1.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3145   -1.0121   -2.2897 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6664   -0.3702   -1.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8010    0.0927    0.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9166    0.4866    0.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4819    0.0285    0.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    0.3388    2.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2764    1.0099   -1.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1283    1.4883    0.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0907   -0.7680    1.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3015   -1.4173   -0.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0160    0.3916   -1.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2142   -1.3248   -1.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8707    0.5012    0.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9553    0.8145    1.9848 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