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
    2.9748   -0.1668    0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4930   -0.3299    0.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7038    0.3268   -0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170    0.1627   -0.3465 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5554    1.0641    0.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0925    2.1307    0.9144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9171    0.5457    0.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9182   -0.5843   -0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5870   -0.8898   -0.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2274   -1.8880   -1.4283 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5688   -0.5520    1.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1407    0.9446    0.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451   -0.6783   -0.7149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2490   -1.4060    0.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2406    0.1541    1.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9855   -0.0898   -1.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9389    1.4229   -0.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7350    1.0438    0.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7905   -1.2103   -0.3674 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