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
    2.0123    0.8293   -0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8197   -0.3432    0.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6715   -1.2149    0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -0.4978    0.0171 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4849   -0.4014    1.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3983   -0.8873    2.2704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6122    0.4096    0.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4188    0.7785   -0.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1444    0.2266   -1.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6630    0.3878   -2.2168 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9823    0.4919   -1.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3105    1.6753   -0.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0605    1.2041   -0.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7395   -0.9734    0.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320   -0.0467    1.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6339   -2.1303    0.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9282   -1.5634   -0.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4679    0.6646    1.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1173    1.3907   -1.2088 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