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
    2.9835    0.1352    0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600    0.3698   -0.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6442   -0.3531    0.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7509   -0.1988    0.2194 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6309    0.8267    0.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3786    1.7823    1.4592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9416    0.5990    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8907   -0.4889   -0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5369   -1.0128   -0.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1324   -2.0286   -1.2408 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9853   -0.1456    1.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6189    1.0430   -0.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4715   -0.6813   -0.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4906   -0.0784   -1.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3248    1.4505   -0.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8685   -0.0519    1.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100   -1.4452    0.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8543    1.1708    0.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7409   -0.8926   -1.2670 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