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
    2.5578    0.0990    1.5924 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9333    0.0966   -0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4718    0.0391   -0.0687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3280   -1.1367   -0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1123   -2.3220   -0.0910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7366   -0.7405   -0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8005    0.5815   -0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4421    1.1282   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0786    2.3232   -0.0304 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3067    1.0248   -0.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3162   -0.8259   -0.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5934   -1.4197   -0.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7188    1.1524    0.0045 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