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
   -4.2205   -0.4774    0.8691 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5613    0.1320    0.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7908   -0.8287   -0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4436   -0.3158   -0.2686 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0336    0.5834   -1.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6480    1.2495   -2.1018 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4913    0.6570   -1.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8341    0.0831    0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9597    0.1766    0.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6315   -0.6296    0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6146   -1.4074    1.6087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0443    0.2000    1.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    1.1498    0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2819   -0.9304   -1.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7821   -1.8160    0.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9633    0.0298   -1.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    1.6995   -1.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1072   -0.2854    1.7905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.7302    0.4169 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