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
   -4.3332   -0.1324    0.4774 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5784   -0.4280    0.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8704    0.2020   -0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4439    0.0419   -0.4024 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3454   -1.0360   -0.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0371   -1.8688   -1.8061 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6918   -0.9985   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8012    0.4362    0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9025    1.1178    0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4374    0.9644    0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1709    2.0392    0.8233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3627   -1.4960    0.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2832    0.1367    1.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1146    1.2852   -0.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2944   -0.2151   -1.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4982   -1.2376   -1.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7590   -1.6031    0.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8634    2.1447    0.5001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8483    0.6472    0.0839 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