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
-2.5759 0.7078 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3415 -0.0274 0.7319 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0156 0.1471 1.2309 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1252 -0.2669 0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1027 -0.7871 -0.6442 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4489 -0.1104 0.9339 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5638 -0.5335 0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7960 -0.3752 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6734 0.8395 -0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1142 1.6925 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2317 0.0978 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0592 0.4092 1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6301 -1.0970 0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8483 0.5817 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6174 0.3280 1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4055 -0.9834 -0.8078 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9928 0.0733 1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6429 -0.6960 0.0194 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