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
    2.5653   -0.2721    0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1276    0.1347   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6817    1.2995   -0.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7785    1.2519   -0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5711    2.1723   -0.8461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1763   -0.0236   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0183   -0.7425    0.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0867   -1.9168    0.7379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4918   -0.5731    0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6942   -0.5046    1.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2391    0.5256   -0.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7233   -1.2329   -0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3243    2.1133   -0.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2577   -0.1219   -0.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7315   -0.4560    1.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4536   -1.6538   -0.0678 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