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
    1.9856    0.9750   -0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721   -0.5295    0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6842   -1.0041   -0.7716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5468   -0.4270   -0.2673 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3923   -1.0032    0.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1283   -2.1006    1.3061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5395   -0.1214    0.9784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138    0.9180    0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1906    0.7879   -0.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7558    1.5897   -1.4989 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9464    1.2983   -1.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9024    1.3358    0.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1095    1.4137    0.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7803   -1.0620   -0.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6466   -0.8031    1.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8170   -0.6103   -1.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6412   -2.1115   -0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3358   -0.3109    1.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0824    1.7654    0.0800 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