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
cid=

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
    3.2544    0.0159    0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8854    0.6289    0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8616   -0.2824   -0.2161 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5229    0.0240   -0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037    1.1560    0.3219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5191   -0.8785   -0.6070 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8944   -0.6336   -0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5052    0.4292   -0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0052    0.8446   -0.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5044   -0.6583    0.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2369   -0.5160   -0.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8692    1.5686   -0.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7706    0.8924    1.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448   -1.1997   -0.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1154   -1.7933   -0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5498   -1.4324   -0.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0196    1.3021    0.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6022    0.5325   -0.1586 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