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
   -2.6394   -0.6585    1.3615 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9325    0.0741   -0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4632    0.0264   -0.0501 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3782   -0.9975   -0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0275   -2.0514   -1.1097 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7659   -0.6312   -0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7459    0.5389    0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3858    1.0185    0.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    2.0874    1.0346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1944    1.1716   -0.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3039   -0.4223   -0.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6509   -1.2312   -0.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6339    1.0751    0.6094 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