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
-3.3186 0.1446 0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1526 -0.4368 -0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8994 0.0973 0.2463 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3609 -0.2844 -0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4055 -1.1262 -1.2289 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6001 0.2308 0.1950 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8504 -0.1729 -0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9539 0.3374 0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7892 -0.6110 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9478 1.0186 1.0744 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1111 0.5095 -0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2309 -0.0761 -1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1253 -1.5439 -0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8985 0.7905 1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 0.9227 0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9134 -0.8923 -1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9040 1.0474 0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8999 0.0448 -0.2784 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