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
   -2.4114    0.9649    1.5625 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9273    0.2412   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4913    0.0396   -0.0326 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2682   -1.0912    0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2321   -2.1391    0.8434 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6951   -0.8711    0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057    0.3418   -0.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5052    0.9756   -0.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2679    2.1087   -0.9438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2914    0.9040   -0.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4489   -0.7424   -0.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5251   -1.5466    0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7353    0.8148   -0.6062 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