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
-2.8257 0.2786 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1918 -0.6269 -0.6049 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8321 -0.2703 -0.9101 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1899 -0.2545 0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0609 -0.5558 1.2702 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5215 0.1046 -0.2687 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5475 0.1245 0.7032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7774 0.4545 0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9647 -0.2387 1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2776 1.2326 0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8690 0.5781 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2881 -1.6925 -0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7984 -0.5452 -1.5272 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5527 -0.0089 -1.8804 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7121 0.3566 -1.2863 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3129 -0.1354 1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0371 0.7245 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5626 0.4744 1.1123 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