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
-2.7729 -0.3834 -0.5286 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2626 0.6115 0.4732 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8618 0.9282 0.2810 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1624 -0.0453 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1902 -1.2360 0.5878 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5389 0.3032 0.1528 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5428 -0.6890 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8118 -0.3928 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7658 -1.4308 -0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8651 -0.1440 -0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2809 -0.3246 -1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4431 0.1708 1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8415 1.5560 0.4585 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5492 1.9229 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7797 1.3206 -0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2688 -1.7049 0.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6068 -1.1058 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1218 0.6436 -0.1596 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