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
    2.2199    2.0718    0.7578 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6290    0.3668    0.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8641   -0.3849   -0.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4424   -0.3333   -0.1803 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3519   -1.2560    0.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0411   -2.0412    1.4702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7581   -1.0857    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7460    0.3567   -0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7588    1.2246   -0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3947    0.6789   -0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0480    1.6702   -1.4506 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7110    0.2504    0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4464   -0.0877    1.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074   -1.4429   -0.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1370   -0.0312   -1.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5061   -1.3633    0.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8068   -1.6840   -0.8865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6236    2.2375   -0.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7043    0.8534    0.1282 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