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
   -2.1268   -2.0659    0.9737 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6940   -0.4852    0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8783    0.0988   -0.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4856    0.2683   -0.3143 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    1.3774    0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3823    2.3278    0.8334 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6506    1.2343    0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8222   -0.2338   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002   -0.9678    0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128   -0.7254   -0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3823   -1.8903   -1.0119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7177    0.2505    1.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7293   -0.5970    0.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9979   -0.5672   -1.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3285    1.0839   -0.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1837    1.6001    1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9698    1.8041   -0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9408   -2.0317    0.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7985   -0.4811    0.5185 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