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
2.8329 -0.3021 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1037 0.8717 0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7537 0.9974 0.1339 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1861 -0.0403 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0907 -1.1207 0.9145 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5116 0.1802 -0.1895 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4977 -0.8135 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7046 -0.5999 -0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4509 -1.2731 0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8905 -0.2371 0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8587 -0.2734 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1335 0.7057 1.7267 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7035 1.7897 0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4802 1.8694 -0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7391 1.0720 -0.6756 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2598 -1.7594 0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9518 0.3030 -1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4474 -1.3695 -0.3800 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