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
    2.7294   -0.6352    1.1568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8816    0.3209   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4613    0.0683   -0.0698 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4633    0.8059    0.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220    1.7720    1.5145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7760    0.2433    0.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6812   -0.7546   -0.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2779   -0.9147   -0.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2005   -1.7561   -1.6071 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3323    0.1413   -1.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0369    1.3989    0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6797    0.6253    0.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5418   -1.3153   -0.7854 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