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
    2.7072    0.1618    1.2457 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9016    0.0908   -0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4736    0.0387   -0.1201 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3123   -1.1390    0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1074   -2.3238    0.0031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6955   -0.7156    0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8050    0.6021    0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4589    1.1129   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    2.3148   -0.1059 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2196   -0.8591   -0.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2168    0.9687   -0.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5040   -1.4347    0.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    1.1826    0.2974 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