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
   -2.9599    0.1376    0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5598   -0.4377    0.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6346    0.5744   -0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7388    0.1952   -0.2091 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6330    0.5013    0.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3763    1.1352    1.9218 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9347   -0.0484    0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8444   -0.6383   -0.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931   -0.5206   -1.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706   -0.9838   -2.2830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4779   -0.0761    1.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9203    1.2451    0.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5080   -0.2671   -0.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5183   -1.4223   -0.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2903   -0.5974    1.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747    1.5262    0.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9317    0.8076   -1.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8285    0.0045    1.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6558   -1.1355   -1.2041 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