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
    2.6599    0.5153    1.3830 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9171    0.0311   -0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4704   -0.0028   -0.0781 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379   -1.1115    0.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0897   -2.2740    0.6102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7131   -0.6555    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8164    0.5941   -0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4322    1.0630   -0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1582    2.2417   -0.6990 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2603    0.7344   -0.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3280   -0.9923   -0.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482   -1.3252    0.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7193    1.1816   -0.2367 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