Monomers

3-Chloro-1-methyl-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
3-chloro-1-methylpyrrole-2,5-dione
InchI
InChI=1S/C5H4ClNO2/c1-7-4(8)2-3(6)5(7)9/h2H,1H3
InchI Key
VCJAXUAZKWUPSH-UHFFFAOYSA-N
SMILES
ClC1=CC(=O)N(C1=O)C
Canonical SMILES
CN1C(=O)C=C(C1=O)Cl
Isomeric SMILES
CN1C(=O)C=C(C1=O)Cl
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
    3.2303   -1.5209    0.0682 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7655   -0.5424    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6634    0.7593   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2789    1.1894   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2133    2.3495   -0.0766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5403    0.0060   -0.0059 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4033   -1.0644    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0678   -2.2776    0.0694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9882   -0.0804   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4935    1.4576   -0.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4054    0.0257   -1.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4519    0.7380    0.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034   -1.0397    0.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  7  2  1  0
  3 10  1  0
  9 11  1  0
  9 12  1  0
  9 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers