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
    2.5869    0.2788    1.5212 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9369    0.0693   -0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4864    0.0049   -0.0769 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3274   -1.1495    0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0529   -2.3379    0.1950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7438   -0.7237    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8028    0.5875   -0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    1.1003   -0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0526    2.2872   -0.3040 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2818    0.9463   -0.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3166   -0.8909   -0.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6094   -1.3815    0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6808    1.2091   -0.0836 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