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
    4.3130   -0.7343   -0.4581 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6622   -0.0992   -0.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7631   -0.6061    0.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4075   -0.1316    0.1566 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1764    1.0647    0.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3840    1.9385    1.3664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5914    1.1654    0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8065   -0.0759   -0.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9593   -0.4027   -1.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5813   -0.8323   -0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4505   -1.9334   -1.1798 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6865    1.0066   -0.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3222   -0.4133   -1.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7661   -1.7280    0.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1627   -0.3648    1.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2702    1.2336    1.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7557    2.0321   -0.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8393    0.2112   -1.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0366   -1.3305   -1.6727 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