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
    2.7229    1.1971    1.2190 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6933   -0.3144    0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7541   -0.2234   -0.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3921    0.0468   -0.4894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1983    1.3324   -0.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4887    2.3899   -0.2800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6642    1.1595   -0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7946   -0.2862    0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8237   -0.8377    0.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5505   -0.9749   -0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4315   -2.2219   -0.2153 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7145   -0.4556   -0.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4999   -1.2015    0.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1631    0.5380   -1.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8082   -1.1981   -1.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1353    1.3458   -1.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1331    1.8207    0.5204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6953   -0.2330    0.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8102   -1.8835    0.9961 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