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
   -2.4573   -0.0326    1.6908 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9408    0.1757   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4962    0.0390   -0.0494 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4567    1.1034    0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1691    2.2988    0.2896 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7797    0.5156    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7115   -0.7910   -0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2923   -1.1284   -0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1745   -2.2669   -0.4040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3436   -0.6595   -0.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2777    1.1632   -0.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7047    1.0453    0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5761   -1.4626   -0.3051 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