Monomers

1-Ethyl-3-methylidenepyrrolidine-2,5-dione

Identifiers

IUPAC name
1-ethyl-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C7H9NO2/c1-3-8-6(9)4-5(2)7(8)10/h2-4H2,1H3
InchI Key
BMZZOWWYEBTMBX-UHFFFAOYSA-N
SMILES
CCN1C(=O)CC(=C)C1=O
Canonical SMILES
CCN1C(=O)CC(=C)C1=O
Isomeric SMILES
CCN1C(=O)CC(=C)C1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
37.38
MolLogP
0.3214
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

 19 19  0  0  0  0  0  0  0  0999 V2000
   -2.6041   -0.1147   -0.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9287   -0.0652    0.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4830    0.0649    0.4019 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2225    1.2860    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2707    2.4376    0.0194 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6577    1.0039    0.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7887   -0.3897    0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827   -0.9216   -0.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4694   -0.9757    0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1940   -2.2010    0.3079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4140    0.6407   -0.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8647    0.0326   -1.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0744   -1.1061   -0.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2963    0.8151    1.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1227   -0.9643    1.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8177    1.0674    1.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3239    1.7086   -0.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7839   -0.3587   -0.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9181   -1.9599   -0.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  7  9  1  0
  9 10  2  0
  9  3  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  8 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers