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
   -2.6270   -0.2112    1.4952 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9315   -0.0594   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4728   -0.0299   -0.0824 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4357   -1.1325   -0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0805   -2.3424   -0.2477 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7834   -0.6002   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7551    0.7284    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3539    1.1198    0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0790    2.3151    0.1312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2884    0.8983   -0.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3101   -0.9000   -0.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6913   -1.1874   -0.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6089    1.4014    0.1848 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