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
   -1.9911    0.6766    0.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8156   -0.5681   -0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6729   -0.4172   -1.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5524   -0.1730   -0.4963 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4775   -1.1672   -0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3148   -2.4051   -0.1777 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5757   -0.4623    0.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3725    0.8419    0.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161    1.0761   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6342    2.2133   -0.3278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0205    1.5954    0.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9464    0.5234    1.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1380    0.7284    1.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5935   -1.4201    0.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7591   -0.8214   -0.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6555   -1.3121   -1.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9163    0.4489   -1.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4384   -0.9551    1.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0274    1.5974    0.9991 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