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
   -2.1345   -0.4334    1.9587 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6711    0.0274    0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7930   -0.7028   -0.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4290   -0.2867   -0.4194 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    0.8273   -1.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1252    1.3925   -2.1378 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3123    1.2577   -0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7865   -0.0549    0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0267   -0.4153    0.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5599   -0.8412    0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4072   -1.8541    1.1870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931    1.1248    0.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7336   -0.2216    0.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1180   -0.5665   -1.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8309   -1.7975   -0.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8659    1.8717    0.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0903    1.8022   -0.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2486   -1.4011    0.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8481    0.2714    0.4951 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