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
    2.6869    0.4774   -0.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8727   -0.5602    0.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -0.3674    0.1710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2851   -0.9769   -0.8748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1934   -1.4903   -1.9162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7481   -0.9059   -0.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7812    0.3624    0.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7817    1.2085    0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4490    0.4605    0.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2130    1.1903    1.8820 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    1.4011    0.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6748    0.0853   -0.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1308    0.6323   -1.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0549   -0.4018    1.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2051   -1.5765    0.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552   -1.7575    0.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793   -0.8667   -1.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000    0.9915   -0.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7005    2.0940    0.9421 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