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
    3.2944    1.3035    0.1176 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7382    0.4589    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6140   -0.8442   -0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2003   -1.1819   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3275   -2.3344   -0.2960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5312    0.0211    0.0193 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4200    1.0651    0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1936    2.2876    0.3055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9928    0.1618    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4257   -1.5441   -0.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -0.2355    1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2360    1.2402   -0.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3904   -0.3982   -0.8065 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