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
   -2.6230   -1.8630   -0.0878 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910   -0.2265    0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8533    0.7208   -0.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4582    0.3034   -0.2784 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1579   -0.5651   -1.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5274   -1.2072   -2.0891 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6331   -0.5952   -1.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8315    0.0729    0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562    0.0978    0.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5699    0.6968    0.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3644    1.4829    1.6233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7360    0.1422    0.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3475   -0.2045    1.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3129    0.7593   -1.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9753    1.7287    0.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0906    0.0530   -1.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0324   -1.6268   -1.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0260    0.6139    1.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8626   -0.3833    0.6417 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