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
    1.9789   -0.6948    0.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8587    0.1481   -0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7187    1.1126   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5486    0.4771   -0.2282 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5141    0.0461   -1.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3551    0.1834   -2.4565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6216   -0.5343   -0.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4113   -0.4917    0.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1115    0.1402    1.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6071    0.3349    2.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8393   -1.3766    0.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0764   -1.3381    0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0443   -0.0240    1.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8149   -0.4721   -1.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7953    0.7460   -0.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7123    1.8280   -1.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9409    1.7329    0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5106   -0.9501   -0.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -0.8675    1.5966 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