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
    2.5966    0.7088    1.8985 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7484   -0.1068    0.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7953    0.4515   -0.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4212    0.3356   -0.2978 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3999    1.2511    0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0036    2.2224    1.0888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8274    0.8648    0.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7491   -0.5747   -0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6960   -1.4873    0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138   -0.7957   -0.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0718   -1.8279   -1.2559 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7757   -0.0125   -0.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5953   -1.2128    0.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1008    1.5111   -0.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9737   -0.0746   -1.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619    1.0280    1.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3366    1.4645   -0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4864   -2.4974   -0.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6604   -1.2479    0.4475 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