Monomers

1-Ethenyl-3-ethylurea

Identifiers

IUPAC name
1-ethenyl-3-ethylurea
InchI
InChI=1S/C5H10N2O/c1-3-6-5(8)7-4-2/h3H,1,4H2,2H3,(H2,6,7,8)
InchI Key
LIOYFPXDFZHOGN-UHFFFAOYSA-N
SMILES
CCNC(=O)NC=C
Canonical SMILES
CCNC(=O)NC=C
Isomeric SMILES
CCNC(=O)NC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H10N2O
Heavy Atom Count
8
Molecular Weight
114.148
Exact Molecular Weight
114.0793
Valence Electrons
46
Radical Electrons
0
tPSA
41.13
MolLogP
0.449
H Bond Acceptors
1
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -3.2245   -0.6010    0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1368    0.4258    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8602   -0.2763    0.1226 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3235    0.5041   -0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2744    1.7662   -0.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5637   -0.1908   -0.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7569    0.5653   -0.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9101   -0.0466   -0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9176   -1.5851   -0.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875   -0.8065    1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1567   -0.3153   -0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2902    0.9529   -0.8465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    1.1862    0.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7977   -1.3225    0.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5804   -1.2452    0.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996    1.6613   -0.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    0.4471   -0.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -1.1195   -0.0646 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers