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
   -2.6790    0.6748    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9137   -0.6367   -0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4740   -0.3915   -0.1077 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2768   -0.1936   -1.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0995   -0.4383   -2.4607 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110    0.3606   -0.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7779   -0.0476    0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9358   -0.1457    1.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4491   -0.3025    0.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1673   -0.4229    2.1908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5398    0.7081   -0.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9789    1.4691   -0.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0220    0.8461    1.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2646   -1.1676   -0.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1184   -1.2855    0.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4054   -0.1049   -1.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6441    1.4642   -1.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9465   -0.4506    2.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8760    0.0642    0.5936 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