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
    2.6863    0.4578   -1.1919 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8830    0.1379    0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4540    0.0348    0.1140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -1.1443   -0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2436   -2.2814   -0.3152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6820   -0.7725   -0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7981    0.5251   -0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5039    1.1049    0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2046    2.3055    0.4128 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1413    0.8695    1.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2685   -0.8518    0.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4864   -1.4622   -0.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7191    1.0766   -0.1535 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