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
   -2.9701    0.2756    0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5630    0.0155   -0.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6222    0.1853    0.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7541   -0.0391    0.4021 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6456    0.9545   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4260    2.1790   -0.2380 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9556    0.3224   -0.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8507   -0.9521   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071   -1.2494    0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0293   -2.3574    0.7914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0060    0.0271    1.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7239   -0.3058   -0.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1840    1.3697   -0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3121    0.6927   -1.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -1.0236   -0.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -0.5098    1.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7865    1.2173    1.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381    0.8694   -0.6637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348   -1.6713   -0.0927 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