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
-2.6505 -1.0165 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2962 0.4230 0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9037 0.5977 0.9682 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1553 0.2191 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1977 -0.2840 -1.0233 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5071 0.3851 0.4408 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5134 -0.0142 -0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7720 0.1401 -0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7182 -1.1410 0.6872 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6799 -1.2565 -0.7449 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0342 -1.7324 0.9131 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9225 0.8905 1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4882 1.0154 -0.3235 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6325 1.0101 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7602 0.8058 1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2302 -0.4464 -1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0458 0.5632 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5395 -0.1589 -0.8426 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