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
-3.3147 0.2463 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1188 -0.7013 0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9341 0.1306 -0.0096 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3863 -0.4441 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5430 -1.6857 0.1474 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5443 0.3705 -0.0501 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8335 -0.2238 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9058 0.5461 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1128 1.0531 0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2559 -0.2911 0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2857 0.6796 -1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1757 -1.4582 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1631 -1.2096 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9575 1.1692 -0.1055 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4589 1.4012 -0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9567 -1.3024 0.0942 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8792 0.1050 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8105 1.6148 -0.1820 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