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
   -2.9703    0.1973   -0.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5059    0.1234   -0.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6907    0.0309    0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7151   -0.0415    0.1392 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4694   -1.2308   -0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1008   -2.4337   -0.0388 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8511   -0.8259   -0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9543    0.4956   -0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290    1.0438    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3698    2.2760    0.1284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5494    0.7967   -1.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1668    0.4983    0.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3723   -0.8468   -0.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2301   -0.7743   -1.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2164    1.0286   -1.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9391    0.9292    1.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -0.8697    0.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7157   -1.4670   -0.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8599    1.0701   -0.3704 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