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
2.5084 0.8298 -0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1517 -0.6251 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9114 -0.9675 0.4424 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2973 -0.3172 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2294 0.5160 -0.9546 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5442 -0.6266 0.5738 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7775 -0.0700 0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0104 0.8069 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6596 1.4571 0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7905 1.1987 -1.1072 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3786 0.9951 0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9764 -1.2058 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1469 -0.9693 -1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8311 -1.6550 1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5161 -1.3541 1.3684 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6750 -0.4130 0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0330 1.1586 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2716 1.2414 -1.3315 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