Monomers

Maleimide, N-chloromethyl-

Identifiers

IUPAC name
1-(chloromethyl)pyrrole-2,5-dione
InchI
InChI=1S/C5H4ClNO2/c6-3-7-4(8)1-2-5(7)9/h1-2H,3H2
InchI Key
SMQIAQVRHOQLKW-UHFFFAOYSA-N
SMILES
ClCN1C(=O)C=CC1=O
Canonical SMILES
C1=CC(=O)N(C1=O)CCl
Isomeric SMILES
C1=CC(=O)N(C1=O)CCl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H4ClNO2
Heavy Atom Count
9
Molecular Weight
145.545
Exact Molecular Weight
144.9931
Valence Electrons
48
Radical Electrons
0
tPSA
37.38
MolLogP
0.1077
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

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.5778    0.3401    1.4814 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9071   -0.2182   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4647   -0.0786   -0.0440 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4825   -1.0285    0.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2354   -2.1983    0.8326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8052   -0.4393    0.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6637    0.7750   -0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2501    1.0746   -0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2447    2.1635   -0.9217 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.3292   -0.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1551   -1.3115   -0.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7731   -0.9097    0.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4564    1.5016   -0.5200 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  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8  3  1  0
  2 10  1  0
  2 11  1  0
  6 12  1  0
  7 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers