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
    2.6623   -0.1853   -0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7945   -0.6876    0.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4373   -0.1928    0.4695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010    0.9920    1.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3808    1.7049    1.9038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3965    1.3218    0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8356   -0.0378   -0.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0663   -0.4183   -0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6190   -0.8312   -0.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5632   -1.9246   -0.8602 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6582   -0.6785   -0.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2353   -0.4632   -1.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8389    0.9051   -0.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2205   -0.2886    1.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8330   -1.7823    0.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2222    1.9068   -0.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1187    1.7839    1.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8653    0.2858   -0.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2729   -1.4099   -0.7278 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