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
   -2.9526   -0.2457    0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4807   -0.1327    0.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7212   -0.0521   -0.5662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7077    0.0597   -0.3652 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4518    1.2614   -0.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9527    2.4141   -0.2698 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8532    0.9128   -0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9997   -0.4082   -0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6643   -0.9866   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4662   -2.2257   -0.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0946   -0.5103   -0.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4701   -0.9819    1.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3706    0.7861    0.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2717    0.7065    1.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2133   -1.1011    1.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1321    0.7577   -1.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9775   -1.0052   -1.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.6530    0.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9515   -0.9019    0.0591 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