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
   -2.2751   -0.7005   -1.6359 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9203    0.0964   -0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4854    0.0238    0.1394 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4849    1.0001   -0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1921    2.0538   -0.9068 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7979    0.5290    0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6809   -0.6288    0.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.9928    0.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2420   -2.0219    1.3052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5043   -0.3287    0.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1755    1.1854   -0.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7302    1.0443   -0.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4499   -1.2601    1.2062 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