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
    3.1376   -1.7005    0.0620 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7191   -0.6397    0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7009    0.6808    0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3287    1.1738    0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1019    2.3553    0.0617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5480    0.0385   -0.0275 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3326   -1.0861   -0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0228   -2.2976   -0.0795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0077    0.0422   -0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5853    1.2983    0.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3736   -0.9415    0.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3455    0.2675   -1.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4046    0.8090    0.6222 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