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
    3.1526   -1.5732   -0.1433 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6994   -0.5817   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6521    0.7375    0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2610    1.1888    0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1389    2.3773    0.1725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5388    0.0145    0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3413   -1.1118   -0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0076   -2.3140   -0.1750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9723   -0.0418    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5577    1.3361    0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3359    0.9206   -0.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3610   -0.0446    1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3249   -0.9076   -0.5420 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