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
    2.7472    0.2461   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7939   -0.3198    0.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4144   -0.3000    0.3067 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2981   -1.2952   -0.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2787   -2.2933   -0.9579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7404   -0.9692   -0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7854    0.4667   -0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8282    1.2500   -0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4943    0.7849    0.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2368    1.8569    1.1299 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661    1.1699   -0.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0007   -0.5459   -0.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7020    0.4881    0.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8817    0.3153    1.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435   -1.3290    1.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2225   -1.5338    0.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2114   -1.1884   -1.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7666    2.2894    0.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7444    0.9073   -0.7186 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