Monomers

1-(2-Hydroxyethyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2-hydroxyethyl)pyrrole-2,5-dione
InchI
InChI=1S/C6H7NO3/c8-4-3-7-5(9)1-2-6(7)10/h1-2,8H,3-4H2
InchI Key
AXTADRUCVAUCRS-UHFFFAOYSA-N
SMILES
OCCN1C(=O)C=CC1=O
Canonical SMILES
C1=CC(=O)N(C1=O)CCO
Isomeric SMILES
C1=CC(=O)N(C1=O)CCO
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7NO3
Heavy Atom Count
10
Molecular Weight
141.126
Exact Molecular Weight
141.0426
Valence Electrons
54
Radical Electrons
0
tPSA
57.61
MolLogP
-1.0963
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -1.9029    0.8457    1.2490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0650   -0.0762    0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0573    0.1041   -0.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3025   -0.0375   -0.4309 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1231    0.9998    0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8485    2.2270    0.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4183    0.4113    0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4064   -0.8824    0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1002   -1.2357   -0.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7055   -2.3759   -0.7236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7769    1.1282    1.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0386   -1.1073    0.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0683    0.1208   -0.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966   -0.6743   -1.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1791    1.1222   -1.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    0.9814    0.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2258   -1.5513    0.3061 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
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  7 16  1  0
  8 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers