Monomers

1-Propyl-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-propylpyrrole-2,5-dione
InchI
InChI=1S/C7H9NO2/c1-2-5-8-6(9)3-4-7(8)10/h3-4H,2,5H2,1H3
InchI Key
DABFKTHTXOELJF-UHFFFAOYSA-N
SMILES
CCCN1C(=O)C=CC1=O
Canonical SMILES
CCCN1C(=O)C=CC1=O
Isomeric SMILES
CCCN1C(=O)C=CC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
37.38
MolLogP
0.3214
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

 19 19  0  0  0  0  0  0  0  0999 V2000
   -2.9651    0.0734    0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5355   -0.1637    0.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6289    0.2794   -0.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7594    0.1222   -0.1940 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5201   -1.0391   -0.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0754   -2.1095   -1.0154 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8774   -0.7922   -0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9591    0.4222    0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6452    1.0490    0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3650    2.2279    0.8148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0048   -0.0706   -0.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2968    1.1096    0.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6696   -0.6671    0.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3824   -1.2301    0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3990    0.4468    1.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9450   -0.3396   -1.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9142    1.3412   -0.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6862   -1.5315   -0.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8536    0.8717    0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  7 18  1  0
  8 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers