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
   -2.2492    1.8343   -1.1834 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5596    0.7833    0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9054   -0.5469   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4827   -0.3436   -0.1441 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2458   -0.1199   -1.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2340    0.2899   -2.4480 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538   -0.4629   -1.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7503   -0.1003    0.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8012    0.3443    1.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4341   -0.3372    0.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1317   -0.5057    2.1892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6461    0.6681    0.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1195    1.2191    1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0856   -1.1488    0.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2942   -1.0960   -0.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3831    0.0512   -1.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7259   -1.5738   -1.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7217    0.4744    0.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287    0.5706    2.0795 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