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
   -2.3488   -1.1333    0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2377   -0.4222    0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1122    1.0651    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3169    1.2859   -0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8166    2.3836   -0.6181 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0113    0.0697   -0.0603 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0969   -0.9756    0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3843   -2.1718    0.3722 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4699   -0.0636   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3085   -2.2083    0.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3034   -0.6202    0.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3961    1.5529    0.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7782    1.4829   -0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7878    0.0640   -1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7498   -1.0481    0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8515    0.7390    0.6039 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