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
    2.7131    0.3772    0.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8795   -0.4059   -0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668   -0.2721   -0.0087 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -1.1368    0.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2370   -1.9715    1.6723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7244   -0.9269    0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8062    0.4003   -0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8877    1.1431   -0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4667    0.6532   -0.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1623    1.5709   -1.3235 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7124   -0.1173    0.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    0.4775    1.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8684    1.3981    0.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2224   -1.4639   -0.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0893    0.0035   -1.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2782   -0.9010    1.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0819   -1.7515   -0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9182    2.1101   -0.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8164    0.8131    0.3587 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