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
    1.7747    0.5589   -3.0160 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0676    0.0843   -1.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4575   -0.9064   -0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5801   -0.9338    0.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6697   -1.7425    1.4343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3947    0.1006    0.3652 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0947    0.7461   -0.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7425    1.7142   -1.3180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4645    0.4241    1.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3010   -1.5336   -0.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5870   -0.4228    2.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4217    0.6141    0.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1454    1.2968    1.9165 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