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
   -2.6140   -0.3022   -0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7721    0.9015   -0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4134    0.4439    0.1532 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1390    0.0156    1.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3576    0.2138    2.5083 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3901   -0.6950    1.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7703   -0.1453   -0.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9943   -0.1295   -0.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5496    0.3618   -0.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4351    0.6529   -2.1030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1216   -0.7368    0.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3844   -0.0328   -1.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0100   -1.1144   -0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7801    1.5904   -0.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    1.4491    0.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075   -1.7935    0.9614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1697   -0.4396    1.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1404    0.2950   -1.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8029   -0.5350   -0.2235 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