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
    2.6682    0.1663    0.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8629    0.0407   -0.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672   -0.0870   -0.3556 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2369   -1.3050   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2888   -2.4136    0.1254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6937   -1.0708   -0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8143    0.3594    0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8792    0.9905    0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5005    0.9543   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3082    2.2036   -0.3374 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7492    0.1817    0.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5498   -0.7406    1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4694    1.0931    1.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1135    0.9222   -1.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2256   -0.8584   -1.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3173   -1.7278    0.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9811   -1.1258   -1.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7763    0.3928    0.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8871    2.0246    0.7845 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