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
    3.2976    1.1840    0.0445 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7481    0.3334    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5649   -0.9572    0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1373   -1.2028    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3924   -2.3537    0.0991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5239    0.0472   -0.0081 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4764    1.0453   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2646    2.2936   -0.0842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9703    0.2645   -0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3835   -1.6841    0.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1700    0.9594   -0.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3169    0.7490    0.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4987   -0.6786   -0.2657 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