Monomers

1,3-dimethyl-2,5-dihydro-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1,3-dimethylpyrrole-2,5-dione
InchI
InChI=1S/C6H7NO2/c1-4-3-5(8)7(2)6(4)9/h3H,1-2H3
InchI Key
HZSAZNPWHKCGKO-UHFFFAOYSA-N
SMILES
CC1=CC(=O)N(C1=O)C
Canonical SMILES
CC1=CC(=O)N(C1=O)C
Isomeric SMILES
CC1=CC(=O)N(C1=O)C
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
   -2.5554   -0.5912    0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1676   -0.0181   -0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8251    1.2064   -0.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6297    1.3620   -0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2873    2.3963   -0.6594 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1836    0.1079    0.0179 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0536   -0.7358    0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1479   -1.9459    0.5854 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5838   -0.2557    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5843   -1.0598    1.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3289    0.1705    0.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6715   -1.3829   -0.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433    1.9869   -0.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2275    0.5860    0.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9496   -0.7470   -0.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130   -1.0797    0.9555 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  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
  1 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