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
   -2.7027    0.3197    0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8613   -0.4375   -0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4546   -0.3052   -0.2504 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3401   -1.1650    0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0926   -1.9612    1.4308 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7670   -0.9520    0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7649    0.4416   -0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7964    1.2809   -0.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4316    0.6926   -0.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1385    1.6440   -1.5500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6068    0.7713    0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1319    1.1370    1.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875   -0.3389    1.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1428   -1.5109   -0.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0672   -0.0729   -1.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0283   -1.6882   -0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310   -1.1146    1.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7036    2.2732   -0.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7460    0.9859    0.1206 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