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
   -2.6826   -0.1480   -0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7913   -0.7638    0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4424   -0.2430    0.4557 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1132    0.8779    1.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4343    1.3786    2.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3604    1.2922    0.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8380    0.0110   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0901   -0.3306   -0.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6278   -0.7850   -0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702   -1.7917   -1.0975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0180    0.4950   -1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4026    0.5477   -0.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2024   -0.9079   -1.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7747   -1.8756    0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2214   -0.5672    1.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0378    1.9310   -0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0815    1.7897    1.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8747    0.3743   -0.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759   -1.2844   -0.7660 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