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
    4.3667   -0.0974   -0.2687 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6362   -0.5510   -0.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8529    0.4479    0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4348    0.2127    0.3382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3299   -0.6055    1.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0222   -1.0292    2.3438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6476   -0.8840    0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207    0.3001   -0.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684    0.7948   -0.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4648    0.7724   -0.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2237    1.5607   -1.5732 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3702   -0.4336   -1.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4538   -1.5905   -0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1839    0.4385    1.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1277    1.4559   -0.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5915   -1.7937   -0.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4658   -0.9497    1.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8722    0.3013   -0.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0639    1.6502   -1.3835 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