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
   -2.0608    1.0880   -0.4400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0168   -0.3147   -0.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0060   -0.8047    0.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2968   -0.2818    0.2419 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3186   -0.8474   -0.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2033   -1.9230   -1.2010 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4816    0.0461   -0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2036    1.0816    0.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8283    0.9061    0.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2456    1.7073    1.5503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6058    1.5067   -1.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207   -0.6882   -0.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8175   -0.6507   -1.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586   -1.9240    0.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4003   -0.6516    1.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4163   -0.1320   -0.9722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8926    1.8826    0.5514 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