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
   -2.5189   -0.0813    1.6448 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9260    0.1281   -0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4831    0.0177   -0.0532 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4242    1.1078    0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252    2.3108    0.2958 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7843    0.5636    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7450   -0.7433   -0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3349   -1.1260   -0.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1182   -2.2863   -0.4022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3705   -0.6647   -0.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2487    1.1266   -0.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7139    1.1111    0.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380   -1.4641   -0.2729 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