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
   -2.5600   -0.4910   -0.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1615    0.0201   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7777    1.2557    0.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6836    1.3317    0.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3663    2.3677    0.5585 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1933    0.0288    0.0501 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0526   -0.7906   -0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0422   -2.0340   -0.4375 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5777   -0.4065    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9182   -0.3983   -1.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6495   -1.5471    0.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2714    0.0884    0.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4666    2.0864    0.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9948   -0.2393   -0.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6854   -1.4743    0.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088    0.2023    0.7056 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