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    0.2206   -0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    0.4120   -0.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6640   -0.2837    0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7381   -0.1712    0.0704 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4578   -1.1080   -0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0051   -2.1386   -1.2828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8515   -0.6787   -0.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9863    0.4317   -0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    0.8087    0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4179    1.7877    1.1831 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6235    1.0333   -0.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414    0.2299    0.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3602   -0.7650   -0.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3616    0.0782   -1.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3378    1.5079   -0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8515    0.2131    1.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9316   -1.3399    0.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6320   -1.2171   -1.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8943    0.9789    0.0393 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