Monomers

1-Methyl-3-methylidenepyrrolidine-2,5-dione

Identifiers

IUPAC name
1-methyl-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C6H7NO2/c1-4-3-5(8)7(2)6(4)9/h1,3H2,2H3
InchI Key
QSWFISOPXPJUCT-UHFFFAOYSA-N
SMILES
C=C1CC(=O)N(C1=O)C
Canonical SMILES
CN1C(=O)CC(=C)C1=O
Isomeric SMILES
CN1C(=O)CC(=C)C1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7NO2
Heavy Atom Count
9
Molecular Weight
125.127
Exact Molecular Weight
125.0477
Valence Electrons
48
Radical Electrons
0
tPSA
37.38
MolLogP
-0.0687
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

 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.4632   -0.8547   -0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3079   -0.2956    0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0051    1.0333    0.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083    1.2685    0.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    2.3649    0.3116 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0335    0.0507   -0.0925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0072   -0.8980   -0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1826   -2.1092   -0.5915 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4432   -0.2229   -0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5150   -1.8237   -0.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3686   -0.3394    0.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1914    0.9820    1.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6660    1.8175    0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0760    0.6330   -0.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825   -1.1170    0.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5441   -0.4892   -1.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  7  2  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers