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
   -2.5647    0.1692    1.6114 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9326    0.0565   -0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4901   -0.0001   -0.0540 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3578   -1.1382    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0380   -2.3294    0.0691 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7415   -0.6940   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7748    0.6282   -0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4020    1.1193   -0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1041    2.3403   -0.1767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3332   -0.8954   -0.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3444    0.8998   -0.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6254   -1.3478    0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6975    1.1917   -0.1140 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