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
   -2.0220    0.1802    0.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8508    0.2953   -0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7006   -0.5547   -1.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624   -0.2224   -0.4666 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5725    0.6780   -0.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5008    1.3795   -1.9423 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6748    0.6510    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3597   -0.2124    0.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0539   -0.7958    0.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4820   -1.6625    1.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1081    0.5741    1.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1317   -0.8697    1.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9235    0.7622    1.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7687   -0.1229   -1.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7670    1.3452   -0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5667   -0.5286   -2.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9282   -1.6134   -0.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5999    1.2011    0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9613   -0.4840    1.8645 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