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
    2.5316    1.8043   -0.7385 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6619    0.0171   -0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8646   -0.5103    0.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4631   -0.1560    0.4055 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1879    0.9995    0.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2407    1.8066    1.7226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5318    1.1449    0.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203   -0.2533   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0248   -0.8015   -0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5380   -0.9429   -0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3349   -2.0574   -0.7918 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2941   -0.4595   -1.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.1961   -0.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0070   -1.6138    0.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3137   -0.0827    1.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2710    1.6056    0.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3889    1.7106   -0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1112   -1.8324   -0.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8999   -0.1825   -0.2668 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