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
    2.2259    2.2377   -0.2563 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6618    0.6217    0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8716   -0.4116   -0.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4438   -0.2495   -0.2947 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3341    0.5755   -1.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0740    1.3104   -2.1041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7337    0.4278   -0.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7114   -0.3909    0.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7659   -0.6415    1.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568   -0.8375    0.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0047   -1.6145    1.6151 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7315    0.4558    0.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5153    0.4915    1.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1487   -0.2958   -1.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1333   -1.4369   -0.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1596    1.4269   -0.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3090   -0.1666   -1.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7473   -0.2602    0.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6835   -1.2423    2.1250 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