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
    3.3843    1.1411    0.0022 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8146    0.3364   -0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5694   -0.9584   -0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1185   -1.1925   -0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4726   -2.3175   -0.2705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5362    0.0604    0.0245 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5176    1.0184    0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3322    2.2666    0.2615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593    0.2877    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3481   -1.6933   -0.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1741    1.2821    0.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4723   -0.4559    0.7733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4701    0.2247   -0.8730 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